biblio

Found 9 results
Filters: Author is Manohar, Prashant Uday  [Clear All Filters]
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.
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.
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.
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.