Browsing by Subject Density Functional Theory (DFT)
Showing results 1 to 5 of 5
| Issue Date | Title | Author(s) |
| 2022-04-10 | Advance density functionals based on model exchange holes for a wide range of molecular and sold state systems | Patra, Abhilash; Samal, Prasanjit |
| 2022-04-12 | Computational studies of aromatic substitution and gas-surface reactions | Sharma, Nishant; Lourderaj, Upakarasamy |
| 2022-03-10 | Design and application of the Meta-GGA and range-separated hybrid exchange-correlation functionals | Patra, Bikash; Samal, Prasanjit |
| 2022-04-02 | N-substituted and N-unsubstituted porphyrinoids: synthesis, structure, spectroscopic characterization and applications | Patra, Sajal Kumar; Kar, Sanjib |
| 2022-04-05 | Self energy corrected tight-binding framework in directed hybrid orbital basis from first principles | Hossain, Manoar; Bhattacharjee, Joydeep |
