Prashant Uday Manohar

Prashant Uday Manohar

Birla Institute of Technology & Science Pilani - Pilani / India
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 436769
बिरला प्रौद्योगिकी एवं विज्ञान संस्थान
person_outline Prashant Uday Manohar's MOST POPULAR ARTICLES
1-) Advances in molecular quantum chemistry contained in the Q-Chem 4 program packageY Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...Molecular Physics 113 (2), 184-215, 201526332015
2-) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageE Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...The Journal of chemical physics 155 (8), 084801, 20212282021
3-) A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutionsPU Manohar, AI KrylovThe Journal of chemical physics 129 (19), 20081662008
4-) New implementation of high‐level correlated methods using a general block tensor library for high‐performance electronic structure calculationsE Epifanovsky, M Wormit, T Kuś, A Landau, D Zuev, K Khistyaev, ...Journal of computational chemistry 34 (26), 2293-2309, 20131692013
5-) Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and …PU Manohar, JF Stanton, AI KrylovThe Journal of chemical physics 131 (11), 2009682009