M. V. Pak

发表

Development of electron-proton density functionals for multicomponent density functional theory.

S. Hammes-Schiffer, A. Chakraborty, M. V. Pak, 2008, Physical review letters.

Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach.

S. Hammes-Schiffer, Kurt R. Brorsen, M. V. Pak, 2015, The Journal of chemical physics.

Potential Energy Surfaces for the Al+O2 Reaction

M. Gordon, M. V. Pak, 2003 .

Multicomponent density functional theory embedding formulation.

Kurt R. Brorsen, M. V. Pak, Tanner Culpitt, 2016, The Journal of chemical physics.

Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems.

Kurt R. Brorsen, M. V. Pak, Andrew Sirjoosingh, 2015, The Journal of chemical physics.

Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulation.

M. V. Pak, Andrew Sirjoosingh, S. Hammes‐Schiffer, 2013, The Journal of chemical physics.

Derivation of an Electron-Proton Correlation Functional for Multicomponent Density Functional Theory within the Nuclear-Electronic Orbital Approach.

M. V. Pak, Andrew Sirjoosingh, S. Hammes‐Schiffer, 2011, Journal of chemical theory and computation.

Full Configuration Interaction and Multiconfigurational Spin Density in Boron and Carbon Atoms

M. Gordon, M. V. Pak, 2000 .

Calculation of Positron Binding Energies and Electron-Positron Annihilation Rates for Atomic Systems with the Reduced Explicitly Correlated Hartree-Fock Method in the Nuclear-Electronic Orbital Framework.

Kurt R. Brorsen, M. V. Pak, S. Hammes‐Schiffer, 2017, The journal of physical chemistry. A.

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

Kurt R. Brorsen, M. V. Pak, Yang Yang, 2017, The Journal of chemical physics.

Density functional theory treatment of electron correlation in the nuclear-electronic orbital approach.

A. Chakraborty, M. V. Pak, S. Hammes‐Schiffer, 2007, The journal of physical chemistry. A.

Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: applications to positronic molecular systems.

M. V. Pak, Andrew Sirjoosingh, S. Hammes‐Schiffer, 2013, The Journal of chemical physics.

Analysis of electron-positron wavefunctions in the nuclear-electronic orbital framework.

M. V. Pak, S. Hammes‐Schiffer, Chet W. Swalina, 2012, The Journal of chemical physics.

Investigation of isotope effects with the nuclear-electronic orbital approach.

M. V. Pak, A. Reyes, S. Hammes‐Schiffer, 2005, The Journal of chemical physics.

Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach.

M. V. Pak, Chaehyuk Ko, S. Hammes‐Schiffer, 2011, The Journal of chemical physics.

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

A. Chakraborty, M. V. Pak, S. Hammes‐Schiffer, 2008, The Journal of chemical physics.

Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework.

A. Chakraborty, M. V. Pak, S. Hammes‐Schiffer, 2006, The journal of physical chemistry. A.

The potential energy surfaces for AlO2 using multi-reference wave functions

Mark S. Gordon, M. Gordon, M. V. Pak, 2001 .

Properties of the exact universal functional in multicomponent density functional theory.

A. Chakraborty, M. V. Pak, S. Hammes‐Schiffer, 2009, The Journal of chemical physics.

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

Kurt R. Brorsen, M. V. Pak, Yang Yang, 2017, The journal of physical chemistry letters.

Nuclear-electronic orbital nonorthogonal configuration interaction approach.

M. V. Pak, J. Skone, S. Hammes‐Schiffer, 2005, The Journal of chemical physics.

Application of the nuclear–electronic orbital method to hydrogen transfer systems: multiple centers and multiconfigurational wavefunctions

M. V. Pak, S. Hammes‐Schiffer, Chet W. Swalina, 2004 .

Alternative formulation of many-body perturbation theory for electron-proton correlation

M. V. Pak, S. Hammes‐Schiffer, Chet W. Swalina, 2005 .

Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation.

M. V. Pak, Andrew Sirjoosingh, S. Hammes‐Schiffer, 2012, The Journal of chemical physics.

Electron-proton correlation for hydrogen tunneling systems.

M. V. Pak, S. Hammes‐Schiffer, 2004, Physical review letters.