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Journal of Chemical Theory and Computation|November 18, 2015
EOMIP-CCSD(2)*: an efficient method for the calculation of ionization potentialsAchintya Kumar Dutta, Nayana Vaval, Sourav Pal
The Journal of Physical Chemistry. A|December 17, 2020
Negative Ion Resonance States: The Fock-Space Coupled-Cluster WaySuhita Basumallick, Y Sajeev, Sourav Pal, et al.
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.
Journal of Chemical Theory and Computation|November 21, 2015
Intermediate Hamiltonian Fock Space Multireference Coupled Cluster Approach to Core Excitation SpectraAchintya Kumar Dutta, Jitendra Gupta, Nayana Vaval, et al.
The Journal of Physical Chemistry. A|February 8, 2014
Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlationAchintya Kumar Dutta, Manzoor Dar, Nayana Vaval, et al.
Journal of Chemical Theory and Computation|May 19, 2025
Relativistic Extended-Coupled-Cluster Calculations of <math><mi>P</mi><mo>,</mo><mi>T</mi></math>-Odd Sensitivity Parameters for Diatomic MoleculesKaushik Talukdar, Malaya K Nayak, Nayana Vaval, et al.
The Journal of Chemical Physics|March 25, 2014
Ground state of naphthyl cation: singlet or triplet?Achintya Kumar Dutta, Prashant U Manohar, Nayana Vaval, et al.
The Journal of Chemical Physics|July 23, 2004
Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on Auger and shape resonancesY Sajeev, Manoj K Mishra, Nayana Vaval, et al.
The Journal of Chemical Physics|March 3, 2019
Relativistic coupled-cluster investigation of parity (P) and time-reversal (T ) symmetry violations in HgFKaushik Talukdar, Malaya K Nayak, Nayana Vaval, et al.
The Journal of Chemical Physics|November 14, 2020
Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluoridesKaushik Talukdar, Malaya K Nayak, Nayana Vaval, et al.
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