Prashant Manohar
Affiliations: | 2007-2009 | Chemistry | University of Southern California, Los Angeles, CA, United States |
| 2009- | Birla Institute of Technology and Science, Pilani |
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| Manohar PU. (2024) Spin-flip equation-of-motion coupled cluster method with singles, doubles and (full) triples: computational implementation and some pilot applications. Physical Chemistry Chemical Physics : Pccp. 26: 21204-21212 |
| Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
| Kumar D, Dutta AK, Manohar PU. (2017) Resolution of the Identity and Cholesky Representation of EOM-MP2 Approximation: Implementation, Accuracy and Efficiency Journal of Chemical Sciences. 129: 1611-1626 |
| Epifanovsky E, Wormit M, Ku? T, et al. (2013) New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations. Journal of Computational Chemistry. 34: 2293-2309 |
| Manohar PU, Stanton JF, Krylov AI. (2009) Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples. The Journal of Chemical Physics. 131: 114112 |
| Manohar PU, Koziol L, Krylov AI. (2009) Effect of a heteroatom on bonding patterns and triradical stabilization energies of 2,4,6-tridehydropyridine versus 1,3,5-tridehydrobenzene. The Journal of Physical Chemistry. A. 113: 2591-9 |
| Manohar PU, Krylov AI. (2008) A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions. The Journal of Chemical Physics. 129: 194105 |
| Manohar PU, Vaval N, Pal S. (2006) Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications Journal of Molecular Structure: Theochem. 768: 91-96 |
| Vaval N, Manohar P, Pal S. (2005) Electronic Spectra and Ionization Potentials of Halogen Oxides Using the Fock Space Coupled-Cluster Method Collection of Czechoslovak Chemical Communications. 70: 851-863 |
| Manohar PU, Vaval N, Pal S. (2004) Extended coupled-cluster approach for magnetizabilities of small molecules Chemical Physics Letters. 387: 442-447 |