화학공학소재연구정보센터
검색결과 : 16건
No. Article
1 Negative Ion Resonance States: The Fock-Space Coupled-Cluster Way
Basumallick S, Sajeev Y, Pal S, Vaval N
Journal of Physical Chemistry A, 124(50), 10407, 2020
2 Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities
Karne AS, Vaval N, Pal S, Vasquez-Perez JM, Koster AM, Calaminici P
Chemical Physics Letters, 635, 168, 2015
3 Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015)
Karne AS, Vaval N, Pal S, Vasquez-Perez JM, Koster AM, Calaminici P
Chemical Physics Letters, 636, 228, 2015
4 Extended coupled cluster method for potential energy surface: A decoupled approach
Joshi SP, Vaval N
Chemical Physics Letters, 612, 209, 2014
5 Structure, Stability, and Properties of the Trans Peroxo Nitrate Radical: The Importance of Nondynamic Correlation
Dutta AK, Dar M, Vaval N, Pal S
Journal of Physical Chemistry A, 118(8), 1350, 2014
6 Polarizability of few electron quantum dots: Extended coupled-cluster response approach
Heidari I, Vaval N, Pal S, Kanhere DG
Chemical Physics Letters, 555, 263, 2013
7 Multipole moments using extended coupled cluster method
Joshi SP, Vaval N
Chemical Physics Letters, 568, 170, 2013
8 Extended coupled-cluster approach for magnetizabilities of small molecules
Manohar PU, Vaval N, Pal S
Chemical Physics Letters, 387(4-6), 442, 2004
9 A fully relaxed extended coupled-cluster approach for molecular properties
Vaval N, Pal S
Chemical Physics Letters, 398(1-3), 194, 2004
10 Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on Auger and shape resonances
Sajeev Y, Mishra MK, Vaval N, Pal S
Journal of Chemical Physics, 120(1), 67, 2004