Machine Learning for Electronic Structure Problems
Publications
Ashish Kumar, Rabeet Singh, and Manoj K. Harbola, "Accurate effective potential for density amplitude and the corresponding Kohn-Sham exchange-correlation potential calculated from approximate." In: J. Phys. B: Atom. Mol. Opt. Phys, 53 165002(2020)
Rabeet Singh, Ashish Kumar, Manoj K. Harbola, and Prasanjit Samal, "Semianalytical wavefunctions and Kohn-Sham exchange-correlation potentials for two-electron atomic systems in two-dimensions." In: J. Phys. B: Atom. Mol. Opt. Phys. 53, 035001(2020)
Rabeet Singh, Bikash Patra, Abhilash Patra, Manoj K. Harbola, and Prasanjit Samal, "Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems." In: J. Chem. Phys. 151, 204104(2019)
Ashish Kumar, Rabeet Singh, and Monoj K. Harbola, "Universal nature of different methods of obtaining the exact Kohn-Sham exchange-correlation potential for a given density." In: J. Phys. B: Atom. Mol. Opt. Phys. 52, 075007(2019)
Rabeet Singh and Manoj K. Harbola, "A study of accurate exchange-correlation functionals through adiabatic connection." In: J. Chem. Phys. 147, 144105(2017)
Rabeet Singh and Manoj K. Harbola, "Study of adiabatic connections in density functional theory for 2-electron spherical systems." In: Int. J. Quantum Chem. 117, 25344(2017)
Rabeet Singh and Manoj K. Harbola, "Improved Le Sech wavefunctions for two-electron atomic systems." In: Chem. Phys. Lett. 639, 248(2015)