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Chemistry, an Asian Journal|June 6, 2025
Frozen Natural Orbitals-Based Coupled-Cluster Singles, Doubles, and (full) Triples - A Computational StudyManisha, Prashant Uday Manohar
Physical Chemistry Chemical Physics : PCCP|July 29, 2024
Spin-flip equation-of-motion coupled cluster method with singles, doubles and (full) triples: computational implementation and some pilot applicationsManisha, Prashant Uday Manohar
The Journal of Chemical Physics|March 27, 2026
Equation-of-motion coupled-cluster methods for doubly ionized and doubly electron-attached states with single, double, and triple substitutions: Theory, implementation, and benchmarksManisha, Anna I Krylov, Prashant Uday Manohar
The Journal of Chemical Physics|July 17, 2009
First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approachArijit Bag, Prashant Uday Manohar, Nayana Vaval, et al.
Physical Chemistry Chemical Physics : PCCP|December 21, 2020
Revealing the biradicaloid nature inherited in the derivatives of thieno[3,4-c][1,2,5]thiadiazole: a computational studyAnup Thomas, Chenru Ji, B Siddlingeshwar, et al.
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