화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Colle-Salvetti type correlation functionals for two-dimensional quantum dot systems
Patra A, Samal P
Chemical Physics Letters, 720, 70, 2019
2 Improving the Performance of Tao-Mo Non-empirical Density Functional with Broader Applicability in Quantum Chemistry and Materials Science
Jana S, Sharma K, Samal P
Journal of Physical Chemistry A, 123(29), 6356, 2019
3 Performance of Tao-Mo Semilocal Functional with rVV10 Dispersion-Correction: Influence of Different Correlation
Patra A, Jana S, Samal P
Journal of Physical Chemistry A, 123(49), 10582, 2019
4 On the many-electron self-interaction error of the semilocal exchange hole based meta-GGA level range-separated hybrid with the B88 hybrids
Jana S, Patra B, Myneni H, Samal P
Chemical Physics Letters, 713, 1, 2018
5 A Parameter-Free Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems
Patra A, Jana S, Samal P
Journal of Physical Chemistry A, 122(13), 3455, 2018
6 Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations
Jana S, Samal P
Journal of Physical Chemistry A, 121(25), 4804, 2017
7 Density-to-potential map in time-independent excited-state density-functional theory
Samal P, Harbola MK, Holas A
Chemical Physics Letters, 419(1-3), 217, 2006
8 Density-to-potential map in time-independent excited-state density-functional theory (vol 419, pg 217, 2006)
Samal P, Harbola MK, Holas A
Chemical Physics Letters, 422(4-6), 586, 2006
9 Analysis of Floquet formulation of time-dependent density-functional theory
Samal P, Harbola MK
Chemical Physics Letters, 433(1-3), 204, 2006