biblio

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Filters: First Letter Of Last Name is M and Author is Manohar, Prashant Uday  [Clear All Filters]
2005
N. Vaval, Manohar, P. Uday, and Pal, S., “Electronic spectra and ionization potentials of halogen oxides using the fock space coupled-cluster method”, Collection of Czechoslovac Chemical Communications, vol. 70, no. 7, pp. 851-863, 2005.
2006
P. Uday Manohar, Vaval, N., and Pal, S., “Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications”, Journal of Molecular Structure-Theochem, vol. 768, no. 1-3, pp. 91-96, 2006.
2007
P. Uday Manohar and Pal, S., “Constrained variational response to fock-space multi-reference coupled-cluster theory: formulation for excited-state electronic structure calculations and some pilot applications”, in Computational Methods in Science and Engineering Vol 1: Theory and Computation: Old Problems and New Challenges, 2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA, 2007, vol. 963, pp. 337-344.
P. Uday Manohar and Pal, S., “Dipole moments and polarizabilities of some small radicals using constrained variational response to fock-space multi-reference coupled-cluster theory”, Chemical Physics Letters, vol. 438, no. 4-6, pp. 321-325, 2007.
2009
A. Bag, Manohar, P. Uday, Vaval, N., and Pal, S., “First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach”, Journal of Chemical Physics, vol. 131, no. 2, p. 024102, 2009.
2010
P. Uday Manohar, Shamasundar, K. R., Bag, A., Vaval, N., and Pal, S., “On some aspects of fock-space multi-reference coupled-cluster singles and doubles energies and optical properties”, Recent progress in coupled cluster methods: theory and applications, vol. 11. Springer, Netherlands, pp. 375-393, 2010.
2013
J. Gupta, Manohar, P. Uday, Ghosh, A., Vaval, N., and Pal, S., “Extended coupled cluster through nth perturbation order for molecular response properties: a comparative study”, Chemical Physics, vol. 417, pp. 45-51, 2013.
2014
A. Kumar Dutta, Manohar, P. Uday, Vaval, N., and Pal, S., “Ground state of naphthyl cation: singlet or triplet?”, Journal of Chemical Physics, vol. 140, no. 11, p. 114312, 2014.
2017
D. Kumar, Dutta, A. Kumar, and Manohar, P. Uday, “Resolution of the identity and cholesky representation of EOM-MP2 approximation: implementation, accuracy and efficiency”, Journal of Chemical Sciences, vol. 129, no. 10, pp. 1611-1626, 2017.