Pak MV - Search Results

1

Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems.

Swalina C, Pak MV, Hammes-Schiffer S. Swalina C, et al. Among authors: pak mv. J Chem Phys. 2005 Jul 1;123(1):014303. doi: 10.1063/1.1940634. J Chem Phys. 2005. PMID: 16035831

2

Electron-proton correlation for hydrogen tunneling systems.

Pak MV, Hammes-Schiffer S. Pak MV, et al. Phys Rev Lett. 2004 Mar 12;92(10):103002. doi: 10.1103/PhysRevLett.92.103002. Epub 2004 Mar 12. Phys Rev Lett. 2004. PMID: 15089203

3

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

Reyes A, Pak MV, Hammes-Schiffer S. Reyes A, et al. Among authors: pak mv. J Chem Phys. 2005 Aug 8;123(6):64104. doi: 10.1063/1.1990116. J Chem Phys. 2005. PMID: 16122297

4

Nuclear-electronic orbital nonorthogonal configuration interaction approach.

Skone JH, Pak MV, Hammes-Schiffer S. Skone JH, et al. Among authors: pak mv. J Chem Phys. 2005 Oct 1;123(13):134108. doi: 10.1063/1.2039727. J Chem Phys. 2005. PMID: 16223276

5

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

Pak MV, Chakraborty A, Hammes-Schiffer S. Pak MV, et al. J Phys Chem A. 2007 May 24;111(20):4522-6. doi: 10.1021/jp0704463. Epub 2007 Apr 19. J Phys Chem A. 2007. PMID: 17441701

6

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

Chakraborty A, Pak MV, Hammes-Schiffer S. Chakraborty A, et al. Among authors: pak mv. J Chem Phys. 2008 Jul 7;129(1):014101. doi: 10.1063/1.2943144. J Chem Phys. 2008. PMID: 18624464

7

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

Chakraborty A, Pak MV, Hammes-Schiffer S. Chakraborty A, et al. Among authors: pak mv. J Chem Phys. 2009 Sep 28;131(12):124115. doi: 10.1063/1.3236844. J Chem Phys. 2009. PMID: 19791860

8

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

Ko C, Pak MV, Swalina C, Hammes-Schiffer S. Ko C, et al. Among authors: pak mv. J Chem Phys. 2011 Aug 7;135(5):054106. doi: 10.1063/1.3611054. J Chem Phys. 2011. PMID: 21823689

9

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

Swalina C, Pak MV, Hammes-Schiffer S. Swalina C, et al. Among authors: pak mv. J Chem Phys. 2012 Apr 28;136(16):164105. doi: 10.1063/1.4704124. J Chem Phys. 2012. PMID: 22559468

10

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

Sirjoosingh A, Pak MV, Hammes-Schiffer S. Sirjoosingh A, et al. Among authors: pak mv. J Chem Phys. 2012 May 7;136(17):174114. doi: 10.1063/1.4709609. J Chem Phys. 2012. PMID: 22583217

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