00653nas a2200169 4500008004100000020001800041022001400059245007000073210006900143260009500212300001400307490001000321100001600331700001400347700001700361856010500378 2005 eng d a90-6764-443-9 a1573-419600aReactivity descriptors: conceptual and computational developments0 aReactivity descriptors conceptual and computational developments aCorinth, GreecebVsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, NetherlandscOCT a1172-11740 v4A-4B1 aPal, Sourav1 aSimos, T.1 aMaroulis, G. uhttp://library.ncl.res.in/content/reactivity-descriptors-conceptual-and-computational-developments-001812nas a2200253 4500008004100000022001400041245013200055210006900187260010200256300001400358490000800372520087400380653000601254653001901260653000801279653001201287653002701299653002601326653002401352100002501376700001901401700001601420856012201436 2013 eng d a0974-362600aRole of substituents on the reactivity and electron density profile of diimine ligands: a density functional theory based study0 aRole of substituents on the reactivity and electron density prof aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScSEP a1247-12580 v1253 a

In this paper, we study the reactivity of diimines like 2, 2(')-bipyridine, 1, l0-phenanthroline and 1, 2, 4-triazines using density-based reactivity descriptors. We discuss the enhancement or diminution in the reactivity of these ligands as a function of two substituent groups, namely methyl (-CH3) group and phenyl (-C6H5) group. The global reactivity descriptors explain the global affinity and philicity of these ligands, whereas the local softness depicts the particular site selectivity. The inter-molecular reactivity trends for the same systems are analysed through the philicity and group philicity indices. The sigma-donor character of these ligands is quantified with the help of electron density profile. In addition, the possible strength of interaction of these ligands with metal ions is supported with actual reaction energies of Ru-L complexes.

10a210a2 `-bipyridine10aDFT10adiimine10aReactivity descriptors10aRu-ligand interaction10asubstituent effects1 aKulkarni, Bhakti, S.1 aMishra, Deepti1 aPal, Sourav uhttp://library.ncl.res.in/content/role-substituents-reactivity-and-electron-density-profile-diimine-ligands-density-001754nas a2200193 4500008004100000022001400041245010300055210006900158260000900227300001100236490000700247520108800254100002001342700001801362700001601380700001801396700001601414856013001430 2014 eng d a2469-992600aRelativistic equation-of-motion coupled-cluster method: application to closed-shell atomic systems0 aRelativistic equationofmotion coupledcluster method application  cAPR  a0425100 v893 a

We report our successful implementation of the relativistic equation-of-motion coupled-cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare-gas atoms, He-like ions, Be-like ions, along with Na+, Al+, K+, Be, andMg. Four-component Dirac spinors are used in the calculations, and the one-and two-electron integrals are evaluated using the Dirac-Coulomb Hamiltonian. Our results are in excellent agreement with available measurements, which are taken from the National Institute of Science and Technology database. The accuracies of the calculations are estimated to be within one half of a percent for He-like and Be-like ions and 1% for the heavier systems. We also present results using the second-order many-body perturbation theory and random-phase approximation in the EOMCC framework. These results are compared with those of EOMCC at the level of single and double excitations in order to assess the role of the electron correlation effects in the intermediate schemes considered in our calculations.

1 aPathak, Himadri1 aSahoo, B., K.1 aDas, B., P.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-equation-motion-coupled-cluster-method-application-closed-shell-atomic-systems00679nas a2200181 4500008004100000245011800041210006900159260000800228300002300236490000700259100002000266700001700286700001800303700001600321700001800337700001600355856012600371 2014 eng d00aRelativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms0 aRelativistic equationofmotion coupledcluster method for the doub cJUL aArticle No. 0105010 v901 aPathak, Himadri1 aGhosh, Aryya1 aSahoo, B., K.1 aDas, B., P.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-equation-motion-coupled-cluster-method-double-ionization-potentials-closed01579nas a2200193 4500008004100000022001400041245011200055210006900167260007900236300002300315490000700338520082300345100002001168700001801188700002201206700001801228700001601246856012301262 2014 eng d a1050-294700aRelativistic equation-of-motion coupled-cluster method for the ionization problem: application to molecules0 aRelativistic equationofmotion coupledcluster method for the ioni aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMER PHYSICAL SOCcDEC aArticle No. 0625010 v903 a

We report the implementation of the four-component spinor relativistic equation-of-motion (EOM) coupled-cluster method within the single- and double-excitation approximation to calculate the ionization potential of molecules. We have applied this method to calculate vertical ionization potentials of the molecules XH (X = F, Cl, Br, I) along with Cl-2 and Br-2 in their closed-shell configuration. We have also presented intermediate results using the second-order many-body perturbation-theory level in the EOM framework to understand the role of electron correlation. All the calculated values are compared with the available experimental results. Our results are found to be in good agreement with sophisticated experiments, and relative deviation of less than 1% is achieved for all the considered systems.

1 aPathak, Himadri1 aSasmal, Sudip1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-equation-motion-coupled-cluster-method-ionization-problem-application-002122nas a2200205 4500008004100000022001400041245011700055210006900172260008100241300001100322490000700333520133300340653002401673653001601697653002401713100001901737700001801756700001601774856012601790 2014 eng d a0953-407500aRelativistic spectroscopy of plasma-embedded Li-like systems with screening effects in two-body Debye potentials0 aRelativistic spectroscopy of plasmaembedded Lilike systems with  aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcSEP a1757010 v473 a

The spectroscopic properties of Li atoms and Li-like Ca and Ti ions in the plasma environment are investigated using a relativistic coupled-cluster (RCC) method. Assuming that the plasma is of low density and very hot, we consider the Debye model with two approximations to account for the screening effects: (i) in the nuclear potential alone and (ii) in both the nuclear and the electron-electron interaction potentials. Also, calculations for the energies and the lifetimes of the atomic states are carried out for plasma-free systems to check their accuracy, after which they are investigated in the plasma environment. It is observed that screenings in the electron-electron interaction potentials stabilize the systems more than when the screenings are present only in the nuclear potential. Similarly, the blue and red shifts in the Delta n = 0 and Delta n not equal 0 transition lines (with the principal quantum number n) of the Li-like ions observed in the (i) approximation are altered in the (ii) approximation. The level crossings among the energy levels are observed for large screening effects and are found to be prominent in the states of higher orbital angular momentum. The lifetimes of many low-lying states of the allowed transitions are estimated by considering different plasma screening strengths.

10aatomic Spectroscopy10aDebye model10arelativistic method1 aDas, Madhulita1 aSahoo, B., K.1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-spectroscopy-plasma-embedded-li-systems-screening-effects-two-body-debye-002234nas a2200157 4500008004100000022001400041245008300055210006900138260007100207300001400278490000800292520162700300100001701927700001601944856011601960 2015 eng d a1089-563900aReactivity and catalytic activity of hydrogen atom chemisorbed silver clusters0 aReactivity and catalytic activity of hydrogen atom chemisorbed s a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a6162-61700 v1193 a

Metal clusters of silver have attracted recent interest of researchers as a result of their potential in different,catalytic applications and low Cost. However, due to the completely filled d orbital and very high first ionization potential of the silver atom, the silver-based catalysts interact very weakly with the reacting molecules. In the current work, density functional theory calculations were carried out to investigate the effect of hydrogen atom chemisorption. On the reactivity and catalytic properties of inert silver clusters Our results affirm that the hydrogen atom chemisorption leads to enhancement the binding energy of the adsorbed O-2 molecule on the inert silver clusters. The increase in the binding energy is also characterized by the decrease in the Ag-O and increase in the O-O bond lengths in the case of the AgnH Silver clusters. Pertinent to the increase in the O-O bond length, a. significant red shift in the O-O Stretching frequency is. also noted in the case,of the AgnH silver clusters. Moreover, the hydrogen atom chemisorbed silver clusters show low reaction barriers and heat Of formation of the final products for the,environmentally important CO oxidation reaction as compared to the parent catalytically inactive clusters The obtained results were compared with those of the corresponding gold and hydrogen atom chemisorbed gold clusters obtained at the same level of theory. It is expected the current computational study will provide key insights for future advances in the design of efficient nanosilver-based catalysts through the adsorption of a small atom or a ligand.

1 aManzoor, Dar1 aPal, Sourav uhttp://library.ncl.res.in/content/reactivity-and-catalytic-activity-hydrogen-atom-chemisorbed-silver-clusters-001854nas a2200241 4500008004100000022001400041245016200055210006900217260008100286300001100367490000700378520090300385653002701288653003301315653003001348100002001378700001801398700002201416700001601438700001801454700001601472856012401488 2015 eng d a0953-407500aRelativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems0 aRelativistic equationofmotion coupledcluster investigation of th aTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLANDbIOP PUBLISHING LTDcJUN a1150090 v483 a

We employ a four-component spinor relativistic equation-of-motion coupled-cluster (EOMCC) method within the single-and double-excitation approximation to calculate the single ionization potentials (IPs) and double ionization potentials (DIPs) of the He and Be isoelectronic sequences up to Ne. The obtained results are compared with the available results from the National Institute of Standards and Technology (NIST) database to test the performance of the EOMCC method. We also present intermediate results at different levels of approximations in the EOMCC framework to gain insight of the effect of electron correlation. Furthermore, we investigate the dependence of the IPs and DIPs of these ions on the ionic charge and observe that these follow parabolic trends. Similarities between the trends of IPs and DIPs in both the classes of considered systems are categorically demonstrated.

10acoupled-cluster method10adouble ionization potentials10aequation-of-motion theory1 aPathak, Himadri1 aSahoo, B., K.1 aSengupta, Turbasu1 aDas, B., P.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-equation-motion-coupled-cluster-investigation-trends-single-and-double-100624nas a2200169 4500008004100000245009100041210006900132260000800201300002300209490000700232100001800239700002000257700002200277700001800299700001600317856012100333 2015 eng d00aRelativistic extended coupled cluster method for magnetic hyperfine structure constant0 aRelativistic extended coupled cluster method for magnetic hyperf cFEB aArticle No. 0225120 v911 aSasmal, Sudip1 aPathak, Himadri1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-extended-coupled-cluster-method-magnetic-hyperfine-structure-constant01903nas a2200157 4500008004100000022001400041245008800055210006900143260011000212300001600322490000700338520124700345100002201592700001601614856011501630 2016 eng d a1463-907600aRadical attached aluminum nanoclusters: an alternative way of cluster stabilization0 aRadical attached aluminum nanoclusters an alternative way of clu aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAUG a21746-217590 v183 a

The stability and electronic structure of radical attached aluminum nanoclusters are investigated using density functional theory (DFT). A detailed investigation shows good correlation between the thermodynamic stability of radical attached clusters and the stability of the attached radical anions. All other calculated parameters like HOMO-LUMO gap and charge transfer are also found to be consistent with the observed thermodynamic stabilities of the complexes. Investigation of the electronic structure of radical attached complexes further shows the presence of jellium structures within the core similar to the ligated clusters. Comparison with available experimental and theoretical data also proves the validity of superatomic complex theory for the radical attached clusters as well. Based on the evaluated thermodynamic parameters, selected radical attached clusters are observed to be more thermodynamically stable in comparison with experimentally synthesized ligated clusters. Stabilization of small metal clusters is one of the greatest challenges in current cluster science and the present investigation confirms the fact that radical attached clusters can provide a viable alternative to ligated clusters in the future.

1 aSengupta, Turbasu1 aPal, Sourav uhttp://library.ncl.res.in/content/radical-attached-aluminum-nanoclusters-alternative-way-cluster-stabilization01796nas a2200193 4500008004100000022001400041245011700055210006900172260007900241300001100320490000700331520104800338100001801386700002001404700002201424700001801446700001601464856012201480 2016 eng d a2469-992600aRelativistic coupled-cluster study of RaF as a candidate for the parity- and time-reversal-violating interaction0 aRelativistic coupledcluster study of RaF as a candidate for the  aONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USAbAMER PHYSICAL SOCcJUN a0625060 v933 a

We have employed both the Z-vector method and the expectation-value approach in the relativistic coupled-cluster framework to calculate the scalar-pseudoscalar (S-PS) P, T-odd interaction constant W-s and the effective electric field E-eff experienced by the unpaired electron in the ground electronic state of RaF. Further, the magnetic hyperfine structure constants of Ra-223 in RaF and Ra-223(+) are also calculated and compared with the experimental values wherever available to judge the extent of the accuracy obtained with the employed methods. The outcome of our study reveals that the Z-vector method is superior to the expectation-value approach in terms of accuracy obtained for the calculation of ground-state property. The Z-vector calculation shows that RaF has a high Eeff (52.5 GV/cm) and W-s (141.2 kHz), which makes it a potential candidate for the electric dipole moment of the electron (eEDM) experiment. An estimation of uncertainty associated with our final results is made, and it is found that it lies below 10%.

1 aSasmal, Sudip1 aPathak, Himadri1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-coupled-cluster-study-raf-candidate-parity-and-time-reversal-violating01513nas a2200181 4500008004100000245009500041210006900136260000800205300001100213490000900224520088600233100002001119700001801139700002201157700001801179700001601197856011801213 2016 eng d00aRelativistic equation-of-motion coupled-cluster method for the electron attachment problem0 aRelativistic equationofmotion coupledcluster method for the elec cJAN a94-1000 v10763 a

The article considers the successful implementation of relativistic equation-of-motion coupled cluster method for the electron attachment problem (EA-EOMCC) at the level of single- and double- excitation approximation. The implemented relativistic EA-EOMCC method is employed to calculate ionization potential values of alkali metal atoms (Li, Na, K, Rb, Cs, Fr) and the vertical electron affinity values of LiX (X = H, F, Cl, Br), NaY (Y = H, F, Cl) starting from their closed-shell configuration. Both four component and exact two-component calculations are done for all the opted systems. Further, we have shown the effect of spin-orbit interaction considering the atomic systems. The results of our atomic calculations are compared with the values from the NIST database and the results are found to be very accurate (<1%). (C) 2015 Elsevier B.V. All rights reserved.

1 aPathak, Himadri1 aSasmal, Sudip1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-equation-motion-coupled-cluster-method-electron-attachment-problem01815nas a2200157 4500008004100000245011000041210006900151260000800220490000800228520121300236100002201449700002201471700001801493700001601511856013001527 2019 eng d00aRelativistic coupled-cluster investigation of parity (P) and time-reversal (T) symmetry violations in HgF0 aRelativistic coupledcluster investigation of parity P and timere cFEB0 v1503 a

We employ the Z-vector method in the four-component relativistic coupled-cluster framework to calculate the parity (P) and time-reversal (T) symmetry violating scalar-pseudoscalar nucleus-electron interaction constant (W-s), the effective electric field (E-eff) experienced by the unpaired electron, and the nuclear magnetic quadrupole moment-electron interaction constant (W-M) in the open-shell ground electronic state of HgF. The molecular frame dipole moment and the magnetic hyperfine structure (HFS) constant of the molecule are also calculated at the same level of theory. The outcome of our study is that HgF has a high value of E-eff (115.9 GV/cm), W-s (266.4 kHz), and W-M (3.59 x 10(33) Hz/e cm(2)), which shows that it can be a possible candidate for the search of new physics beyond the standard model. Our results are in good agreement with the available literature values. Furthermore, we investigate the effect of the basis set and the virtual energy functions on the computed properties. The role of the high-energy virtual spinors is found to be significant in the calculation of the HFS constant and the P,T-odd interaction coefficients. Published under license by AIP Publishing.

1 aTalukdar, Kaushik1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-coupled-cluster-investigation-parity-p-and-time-reversal-t-symmetry-violations01798nas a2200217 4500008004100000022001400041245007200055210006900127260000800196300001100204490000700215520109000222653004301312653002501355653002501380100002201405700002201427700001801449700001601467856009701483 2020 eng d a0953-407500aRelativistic coupled-cluster study of BaF in search of CP violation0 aRelativistic coupledcluster study of BaF in search of CP violati cJUL a1351020 v533 a

BaF is one of the potential candidates for the experimental search of the electric dipole moment of the electron (eEDM). The NL-eEDM collaboration is building a new experimental set up to measure the eEDM using the BaF molecule (The NL-eEDM collaboration, 2018 Eur. Phys. J. D 72: 197). To analyze the results of such an experiment, one would require the accurate value of the molecular P, T-odd interaction parameters that cannot be measured from any experiment. In this work, we report the precise value of the P, T-odd interaction parameters of the BaF molecule obtained from the four-component relativistic coupled-cluster calculations. We also calculate the hyperfine structure (HFS) constants of the same molecule to assess the reliability of the reported molecular parameters. The calculated HFS constants show good agreement with the available experimental values. Further, the systematic effects of electron-correlation along with the roles of inner-core electrons and the virtual energy functions in the calculation of the studied properties of BaF are investigated.

10aelectric dipole moment of the electron10aelectron-correlation10aRelativistic effects1 aTalukdar, Kaushik1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-coupled-cluster-study-baf-search-cp-violation01865nas a2200205 4500008004100000022001400041245012500055210006900180260000800249300001100257490000800268520113700276100002001413700001801433700002201451700002201473700001801495700001601513856013001529 2020 eng d a0021-960600aRelativistic double-ionization equation-of-motion coupled-cluster method: application to low-lying doubly ionized states0 aRelativistic doubleionization equationofmotion coupledcluster me cMAR a1043020 v1523 a

This article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb Hamiltonian with four-component spinors is considered to take care of the relativistic effects. The implemented method is employed to compute a few low-lying doubly ionized states of noble gas atoms (Ar, Kr, Xe, and Rn) and Cl-2, Br-2, HBr, and HI. Additionally, we presented results with two intermediate schemes in the four-component relativistic DI-EOMCC framework to understand the role of electron correlation. The computed double ionization spectra for the atomic systems are compared with the values from the non-relativistic DI-EOMCC method with spin-orbit coupling [Z. Wang et al. J. Chem. Phys. 142, 144109 (2015)] and the values from the National Institute of Science and Technology (NIST) database. Our atomic results are found to be in good agreement with the NIST values. Furthermore, the obtained results for the molecular systems agree well with the available experimental values.

1 aPathak, Himadri1 aSasmal, Sudip1 aTalukdar, Kaushik1 aNayak, Malaya, K.1 aVeval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-double-ionization-equation-motion-coupled-cluster-method-application-low-lying01560nas a2200181 4500008004100000022001400041245011000055210006900165260000900234300001100243490000800254520091100262100002201173700002201195700001801217700001601235856012701251 2020 eng d a2469-992600aRole of electron correlation in the P, T-odd effects of CdH: a relativistic coupled-cluster investigation0 aRole of electron correlation in the P Todd effects of CdH a rela cMAR  a0325050 v1013 a

We investigate the parity (P) and time-reversal (T) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters-E-eff, W-s, and W-M-related to the electric dipole moment of electron (eEDM) interaction, the scalar-pseudoscalar (S-PS) nucleus-electron neutral current coupling, and the nuclear magnetic quadrupole moment (MQM) interaction with electrons, respectively. We also compute the molecular dipole moment and the magnetic hyperfine structure coupling constant of CdH. The values of E-eff, W-s, and W-M obtained by us in the said molecule are 12.2 GV/cm, 14.0 kHz, and 0.82 x 10(33) Hz/e cm(2), respectively, within an uncertainty of 10%. Furthermore, we study the trend of electron-correlation in the computed properties of CdH and that of the P, T-odd parameters in the group-12 monohydrides (i.e., ZnH, CdH, and HgH).

1 aTalukdar, Kaushik1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/role-electron-correlation-p-t-odd-effects-cdh-relativistic-coupled-cluster-investigation01584nas a2200253 4500008004100000022001400041245014100055210006900196260000800265300001100273490000800284520070400292653003200996653002201028653001601050653002701066653002001093653001501113100001601128700002401144700001601168700001801184856012801202 2021 eng d a0020-760800aResonance study: effect of partial triples excitation using complex absorbing potential-based Fock-space multi-reference coupled cluster0 aResonance study effect of partial triples excitation using compl cSEP ae267380 v1213 a

Resonances are metastable states with finite lifetime. They play important role in physics, chemistry and biology. The theoretical calculation of resonance state is a challenging problem. In this paper we have studied the shape resonance of Be, Mg, N-2 and CO. We have used correlated independent particle approximation to the Fock space multi-reference coupled cluster singles-doubles with third-order triples (CAP-CIP-FSMRCCSD(T)) method augmented by complex absorption potential. The resonance energy and decay widths are obtained by solving a non-Hermitian eigen-value problem within FSMRCC framework. The effects of the lowest order triples on the resonance energy and decay are studied.

10acomplex absorbing potential10aelectron affinity10aFock&\#820810anegative ion resonance10apartial triples10aspace MRCC1 aJana, Irina1 aBasumallick, Suhita1 aPal, Sourav1 aVaval, Nayana uhttp://library.ncl.res.in/content/resonance-study-effect-partial-triples-excitation-using-complex-absorbing-potential-based01792nas a2200253 4500008004100000022001400041245010000055210006900155260000800224300000700232490000800239520093800247653002701185653001701212653002401229653002701253653002501280100002201305700002801327700002501355700001801380700001601398856012401414 2023 eng d a1432-881X00aRelativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics0 aRelativistic coupledcluster study of SrF for lowenergy precision cFEB a150 v1423 a

SrF, being a laser-coolable molecule, can be an interesting system for spectroscopic tests of fundamental physics. We present an electronic structure study of this molecule within the four-component relativistic coupled-cluster singles and doubles (RCCSD) framework and employ the RCCSD-based methods to compute its molecular-frame dipole moment and core properties such as hyperfine structure coupling constant and molecular P, T-odd electronic structure parameters that are of great importance for the high-precision tests of fundamental physics. The impact of basis set size, Hamiltonian and nuclear model on the property calculation of SrF is also investigated. The computed results are in good agreement with the available experimental values. The present study shows that the SrF molecule could be useful for high-precision molecular experiments to explore physics beyond the Standard Model of elementary particles.

10aCoupled cluster theory10aCP violation10aHyperfine structure10aMolecular spectroscopy10aRelativistic effects1 aTalukdar, Kaushik1 aBuragohain, Haimyapriya1 aNayak, Malaya, K. K.1 aVaval, Nayana1 aPal, Sourav uhttp://library.ncl.res.in/content/relativistic-coupled-cluster-study-srf-low-energy-precision-tests-fundamental-physics