Michael V. Pak

Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities

Yang Yang, Kurt R. Brorsen, Tanner Culpitt et al. · The Journal of Chemical Physics · 2017 · 127 citations · Full text

Development of Electron-Proton Density Functionals for Multicomponent Density Functional Theory

Arindam Chakraborty, Michael V. Pak, Sharon Hammes‐Schiffer · Physical Review Letters · 2008 · 115 citations

Engineering, Physics, Hydrogen Transition +13

Density Functional Theory Treatment of Electron Correlation in the Nuclear−Electronic Orbital Approach

Michael V. Pak, Arindam Chakraborty, Sharon Hammes‐Schiffer · The Journal of Physical Chemistry A · 2007 · 104 citations

Engineering, Nuclear Physics, Computational Chemistry +17

Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated?

Kurt R. Brorsen, Yang Yang, Michael V. Pak et al. · The Journal of Physical Chemistry Letters · 2017 · 79 citations

Electron Density, Engineering, Bonding Regions Correlated +15

Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions

Arindam Chakraborty, Michael V. Pak, Sharon Hammes‐Schiffer · The Journal of Chemical Physics · 2008 · 76 citations

Total Energy, Engineering, Nuclear Physics +18