Universal nature of different methods of obtaining the exact Kohn–Sham exchange-correlation potential for a given density A Kumar, R Singh, MK Harbola Journal of Physics B: Atomic, Molecular and Optical Physics 52 (7), 075007, 2019 | 24 | 2019 |
Accurate effective potential for density amplitude and the corresponding Kohn–Sham exchange–correlation potential calculated from approximate wavefunctions A Kumar, R Singh, MK Harbola Journal of Physics B: Atomic, Molecular and Optical Physics 53 (16), 165002, 2020 | 13 | 2020 |
Improved le Sech wavefunctions for two-electron atomic systems RS Chauhan, MK Harbola Chemical Physics Letters 639, 248-253, 2015 | 12 | 2015 |
A study of accurate exchange-correlation functionals through adiabatic connection R Singh, MK Harbola The Journal of Chemical Physics 147 (14), 2017 | 11 | 2017 |
Semianalytical wavefunctions and Kohn–Sham exchange-correlation potentials for two-electron atomic systems in two-dimensions R Singh, A Kumar, MK Harbola, P Samal Journal of Physics B: Atomic, Molecular and Optical Physics 53 (3), 035001, 2020 | 7 | 2020 |
Study of adiabatic connection in density functional theory with an accurate wavefunction for two‐electron spherical systems RS Chauhan, MK Harbola International Journal of Quantum Chemistry 117 (8), e25344, 2017 | 7 | 2017 |
Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems PS Rabeet Singh, Bikash Patra, Abhilash Patra, Manoj K. Harbola The Journal of Chemical Physics 151, 204104, 2019 | 2 | 2019 |
Highly accurate wavefunctions for two-electron systems using two parameteres RS Chauhan, MK Harbola arXiv preprint arXiv:1506.00912, 2015 | 1 | 2015 |
Universal nature of different methods of obtaining the exact Kohn-Sham exchange-correlation potential for a given density M Harbola, A Kumar, R Singh APS March Meeting Abstracts 2018, L60. 325, 2018 | | 2018 |
A study of accurate exchange-correlation functionals through adiabatic connection M Harbola, R Singh APS March Meeting Abstracts 2018, S02. 005, 2018 | | 2018 |
The Levy-Perdew-Sahni equation for the density: accurate effective potential and self-consistent solution for two-electron atomic systems RS Chauhan, MK Harbola arXiv preprint arXiv:1602.07042, 2016 | | 2016 |