@article {45870,
	title = {Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: application to ionization potential},
	journal = {Journal of Chemical Physics},
	volume = {145},
	year = {2016},
	month = {AUG},
	type = {Article},
	chapter = {074110},
	abstract = {The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximations using the Dirac-Coulomb Hamiltonian. At the first attempt, the implemented method is employed to calculate ionization potential value of heavy atomic (Ag, Cs, Au, Fr, and Lr) and molecular (HgH and PbF) systems, where the effect of relativity does really matter to obtain highly accurate results. Not only the relativistic effect but also the effect of electron correlation is crucial in these heavy atomic and molecular systems. To justify the fact, we have taken two further approximations in the four-component relativistic equation-of-motion framework to quantify how the effect of electron correlation plays a role in the calculated values at different levels of theory. All these calculated results are compared with the available experimental data as well as with other theoretically calculated values to judge the extent of accuracy obtained in our calculations. },
	doi = {10.1063/1.4960954},
	author = {Pathak, H. and Sasmal, S. and Nayak, M. K. and Vaval, N. and Pal, S.}
}
@article {44004,
	title = {Electron{\textendash}nucleus scalar{\textendash}pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework},
	journal = {Molecular Physics},
	year = {2017},
	month = {MAY},
	chapter = {1-6},
	abstract = {<p>The scalar{\textendash}pseudoscalar interaction constant of PbF in its ground state electronic configuration is calculated using the Z-vector method in the relativistic coupled-cluster framework. The precise calculated value is very important to set upper bound limit on (Formula presented.)-odd scalar{\textendash}pseudoscalar interaction constant, ks, from the experimentally observed (Formula presented.)-odd frequency shift. Further, the ratio of the effective electric field to the scalar{\textendash}pseudoscalar interaction constant is also calculated which is required to get an independent upper bound limit of electric dipole moment of electron, de, and ks and how these (de and ks) are interrelated is also presented here. {\textcopyright} 2017 Informa UK Limited, trading as Taylor \&amp; Francis Group</p>},
	author = {Sasmal, S. and Talukdar, K. and Nayak, M.K. and Vaval, N. and Pal, S.}
}
