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Michael Pak
Michael Pak
Research Professor of Physics, Air Force Institute of Technology
在 afit.edu 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
Explicit dynamical electron− proton correlation in the nuclear− electronic orbital framework
C Swalina, MV Pak, A Chakraborty, S Hammes-Schiffer
The Journal of Physical Chemistry A 110 (33), 9983-9987, 2006
1222006
Development of Electron-Proton Density Functionals<? format?> for Multicomponent Density Functional Theory
A Chakraborty, MV Pak, S Hammes-Schiffer
Physical review letters 101 (15), 153001, 2008
1172008
Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities
Y Yang, KR Brorsen, T Culpitt, MV Pak, S Hammes-Schiffer
The Journal of Chemical Physics 147 (11), 2017
972017
Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions
A Chakraborty, MV Pak, S Hammes-Schiffer
The Journal of chemical physics 129 (1), 2008
902008
Is the accuracy of density functional theory for atomization energies and densities in bonding regions correlated?
KR Brorsen, Y Yang, MV Pak, S Hammes-Schiffer
The journal of physical chemistry letters 8 (9), 2076-2081, 2017
882017
Density functional theory treatment of electron correlation in the nuclear− electronic orbital approach
MV Pak, A Chakraborty, S Hammes-Schiffer
The Journal of Physical Chemistry A 111 (20), 4522-4526, 2007
882007
Alternative formulation of many-body perturbation theory for electron–proton correlation
C Swalina, MV Pak, S Hammes-Schiffer
Chemical physics letters 404 (4-6), 394-399, 2005
882005
Investigation of isotope effects with the nuclear-electronic orbital approach
A Reyes, MV Pak, S Hammes-Schiffer
The Journal of chemical physics 123 (6), 2005
842005
Electron-proton correlation for hydrogen tunneling systems
MV Pak, S Hammes-Schiffer
Physical review letters 92 (10), 103002, 2004
802004
Nuclear-electronic orbital nonorthogonal configuration interaction approach
JH Skone, MV Pak, S Hammes-Schiffer
The Journal of chemical physics 123 (13), 2005
652005
Application of the nuclear–electronic orbital method to hydrogen transfer systems: multiple centers and multiconfigurational wavefunctions
MV Pak, C Swalina, SP Webb, S Hammes-Schiffer
Chemical physics 304 (1-2), 227-236, 2004
512004
Properties of the exact universal functional in multicomponent density functional theory
A Chakraborty, MV Pak, S Hammes-Schiffer
The Journal of chemical physics 131 (12), 2009
502009
Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method
PE Adamson, XF Duan, LW Burggraf, MV Pak, C Swalina, ...
The Journal of Physical Chemistry A 112 (6), 1346-1351, 2008
492008
Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation
A Sirjoosingh, MV Pak, S Hammes-Schiffer
The Journal of Chemical Physics 136 (17), 2012
462012
Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach
A Sirjoosingh, MV Pak, KR Brorsen, S Hammes-Schiffer
The Journal of chemical physics 142 (21), 2015
432015
Derivation of an electron–proton correlation functional for multicomponent density functional theory within the nuclear–electronic orbital approach
A Sirjoosingh, MV Pak, S Hammes-Schiffer
Journal of Chemical Theory and Computation 7 (9), 2689-2693, 2011
432011
Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical formulation
A Sirjoosingh, MV Pak, C Swalina, S Hammes-Schiffer
The Journal of chemical physics 139 (3), 2013
402013
Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems
C Swalina, MV Pak, S Hammes-Schiffer
The Journal of chemical physics 123 (1), 2005
372005
Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach
C Ko, MV Pak, C Swalina, S Hammes-Schiffer
The Journal of chemical physics 135 (5), 2011
322011
Potential energy surfaces for the reaction
MV Pak, MS Gordon
The Journal of chemical physics 118 (10), 4471-4476, 2003
322003
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