Publications by authors named "Michael V Pak"

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Tight-binding energy-phase calculation for topological Josephson junction nanowire architecture.
Adrian D Scheppe, Michael V Pak

Nanotechnology· July 2025

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Semiclassical Approach to Computing Vibrationally Resolved Ionization Cross Sections for Molecular Nitrogen.
Paul E Adamson, Darryl J Watkins, Michael V Pak, A Stephen Richardson, Ian M Rittersdorf

J Phys Chem A· April 2025

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Convergent Close-Coupling Approach to Electron Impact Dissociation of the Polyatomic Molecule H_{3}^{+} and Its Isotopologues.
Reese K Horton, Michael V Pak, Igor Bray, Dmitry V Fursa

Phys Rev Lett· February 2025

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Perturbing finite temperature multicomponent DFT 1D Kohn-Sham systems: Peierls gap & Kohn anomaly.
Adrian D Scheppe, Michael V Pak

J Phys Condens Matter· November 2023

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Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities.
Yang Yang, Kurt R Brorsen, Tanner Culpitt, Michael V Pak, Sharon Hammes-Schiffer

J Chem Phys· September 2017

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Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated?
Kurt R Brorsen, Yang Yang, Michael V Pak, Sharon Hammes-Schiffer

J Phys Chem Lett· May 2017

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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, Michael V Pak, Sharon Hammes-Schiffer

J Phys Chem A· January 2017

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Multicomponent density functional theory embedding formulation.
Tanner Culpitt, Kurt R Brorsen, Michael V Pak, Sharon Hammes-Schiffer

J Chem Phys· July 2016

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Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach.
Andrew Sirjoosingh, Michael V Pak, Kurt R Brorsen, Sharon Hammes-Schiffer

J Chem Phys· June 2015

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Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems.
Kurt R Brorsen, Andrew Sirjoosingh, Michael V Pak, Sharon Hammes-Schiffer

J Chem Phys· June 2015

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Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulation.
Andrew Sirjoosingh, Michael V Pak, Chet Swalina, Sharon Hammes-Schiffer

J Chem Phys· July 2013

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Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: applications to positronic molecular systems.
Andrew Sirjoosingh, Michael V Pak, Chet Swalina, Sharon Hammes-Schiffer

J Chem Phys· July 2013

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Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation.
Andrew Sirjoosingh, Michael V Pak, Sharon Hammes-Schiffer

J Chem Phys· May 2012

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Analysis of electron-positron wavefunctions in the nuclear-electronic orbital framework.
Chet Swalina, Michael V Pak, Sharon Hammes-Schiffer

J Chem Phys· April 2012

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Derivation of an Electron-Proton Correlation Functional for Multicomponent Density Functional Theory within the Nuclear-Electronic Orbital Approach.
Andrew Sirjoosingh, Michael V Pak, Sharon Hammes-Schiffer

J Chem Theory Comput· September 2011

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Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach.
Chaehyuk Ko, Michael V Pak, Chet Swalina, Sharon Hammes-Schiffer

J Chem Phys· August 2011

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Properties of the exact universal functional in multicomponent density functional theory.
Arindam Chakraborty, Michael V Pak, Sharon Hammes-Schiffer

J Chem Phys· September 2009

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Calculation of the positron annihilation rate in PsH with the positronic extension of the explicitly correlated nuclear-electronic orbital method.
Michael V Pak, Arindam Chakraborty, Sharon Hammes-Schiffer

J Phys Chem A· April 2009

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Development of electron-proton density functionals for multicomponent density functional theory.
Arindam Chakraborty, Michael V Pak, Sharon Hammes-Schiffer

Phys Rev Lett· October 2008

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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

J Chem Phys· July 2008

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Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method.
Paul E Adamson, Xiaofeng F Duan, Larry W Burggraf, Michael V Pak, Chet Swalina

J Phys Chem A· February 2008

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Density functional theory treatment of electron correlation in the nuclear-electronic orbital approach.
Michael V Pak, Arindam Chakraborty, Sharon Hammes-Schiffer

J Phys Chem A· May 2007

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Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework.
Chet Swalina, Michael V Pak, Arindam Chakraborty, Sharon Hammes-Schiffer

J Phys Chem A· August 2006

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Nuclear-electronic orbital nonorthogonal configuration interaction approach.
Jonathan H Skone, Michael V Pak, Sharon Hammes-Schiffer

J Chem Phys· October 2005

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Investigation of isotope effects with the nuclear-electronic orbital approach.
Andrés Reyes, Michael V Pak, Sharon Hammes-Schiffer

J Chem Phys· August 2005

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