biblio

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