Dr. Michael V. Pak
Assistant Professor of Physics
Publications
[48] R. Horton, I. Bray, D. Fursa, M.V.Pak "Electron Scattering from H+3 and its Isotopologues – Convergent Close-Coupling Approach", Physical Review A, submitted.
[47] R. Horton, M.V.Pak, I. Bray, D. Fursa "Vibrational Dynamics in Electron Impact Excitation and Ionisation of H+", PRL submitted.
[46] A. Scheppe, M.V.Pak, "Tight Binding Energy Phase Relation for Topological Josephson Junction Nanowire Architecture", J. Physics Condens. Matter, submitted.
[45] P.Adamson, D.Watkins, M.V.Pak, A.S.Richardson, S.Swanekamp, “A semi-classical approach to computing vibrationally-resolved ionization cross sections for molecular nitrogen”, Journal of Chemical Physics, submitted
[44] A. Scheppe, M.V.Pak "Perturbing finite temperature multicomponent DFT 1D Kohn-Sham systems: Peierls Gap and Kohn Anomaly", J. Physics: Condens. Matter, 36, 075401, 2023
[43] A.K.Patnaik, B.V.DeLuca, N.J.Guerrero, A.D.Scheppe, M.V.Pak, D.E.Weeks, “Multiphoton Approximation Error of Parametric Down Conversion Source Detection”, Proc. SPIE PC12016, Optical and Quantum Sensing and Precision Metrology II, PC1201639, 2022
[42] A. Scheppe, M.V.Pak “ Complete description of fault-tolerant quantum gate operations for topological Majorana qubit systems”, Phys. Rev. A 105, 012415, 2022
[41] D.Watkins, P.Adamson, A.S.Richardson, S.Swanekamp, I.Rittersdorf, J.Schumer, M.V.Pak, “A Semi- Classical Model for Computing Vibrationally-Resolved Electron-Impact Ionization Cross Sections”, Bulletin of the American Physical Society, 66, 2021
[40] E.Ilin, I.Burkova, E.Colla, M.V.Pak, A.Bezryadin “Giant energy storage effect in nanolayer capacitors charged by the field emission tunneling”, Nanotechnology, 32, 155401, 2021
[39] E.Ilin, I.Burkova, X.Song, M.V.Pak, S.Golubev, A.Bezryadin “Superconducting phase transition in inhomogeneous chains of superconducting islands”, Phys. Rev. B 102, 134502, 2020
[38] E.Ilin, M.Marchevsky, I.Burkova, M.V.Pak, A.Bezryadin “Nanometer-Scale Deformations of Berea Sandstone Under Moisture-Content Variations”, Phys. Rev. Applied, 13, 024043, 2020
[37] Yang Yang, K.R.Brorsen, T.Culpitt, M.V.Pak, S.Hammes-Schiffer “Development of a Practical Multicomponent Density Functional for Electron-Proton Correlation to Produce Accurate Proton Densities”, J.Chem.Phys., 147, 114113, 2017
[36] A.Bezryadin, A.Belkin, E.Ilin, M.V.Pak, E.V.Colla, A.Hubler ,”Large energy storage efficiency of the dielectric layer of graphene nanocapacitors”, Nanotechnology, 28 (49), 495401, 2017
[35] K.R.Brorsen, Yang Yang, M.V.Pak, S.Hammes-Schiffer “Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated?”, J. Phys. Chem. Lett., 8 (9), pp 2076–2081, 2017
[34] K.R.Brorsen, M.V.Pak, S.Hammes-Schiffer “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”, J. Phys. Chem. A, 121 (2), pp 515–522, 2017
[33] T.Culpitt, K.R.Brorsen, M.V.Pak, S.Hammes-Schiffer “Multicomponent density functional theory embedding formalism”, J.Chem.Phys., 145, 044106, 2016
[32] K.R.Brorsen, A.Sirjoosingh, M.V.Pak, S.Hammes-Schiffer “Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems”, J.Chem.Phys., 142, 214108, 2015
[31] A.Sirjoosingh, M.V.Pak, K.R.Brorsen, S.Hammes-Schiffer “Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach”, J.Chem.Phys., 142, 214107, 2015
[30] A.Sirjoosingh, M.V.Pak, C.Swalina, S.Hammes-Schiffer “Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Applications to positronic molecular systems”, J.Chem.Phys., 139, 034103, 2013
[29] A.Sirjoosingh, M.V.Pak, C.Swalina, S.Hammes-Schiffer “Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical formulation”, J.Chem.Phys., 139, 034102, 2013
[28] A.Sirjoosingh, M.V.Pak, S.Hammes-Schiffer “Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation”, J.Chem.Phys., 136, 174114, 2012
[27] C.Swalina, M.V.Pak, S.Hammes-Schiffer “Analysis of electron-positron wavefunctions in the nuclear- electronic orbital framework”, J.Chem.Phys., 136, 164105, 2012
[26] A.Sirjoosingh, M.V.Pak, S.Hammes-Schiffer “Derivation of an electron-proton correlation functional for multicomponent density functional theory within the nuclear-electronic orbital approach”, J.Chem.Theory and Comput., 7, 2689-2693, 2011
[25] C.Ko, M.V.Pak, C.Swalina, S.Hammes-Schiffer “Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach”, J.Chem.Phys., 135, 054106, 2011
[24] B.Auer, M.V.Pak, S.Hammes-Schiffer “Nuclear-electronic orbital method within the fragment molecular orbital approach”, J.Phys.Chem., C, 114, 5582, 2010
[23] A.Chakraborty, M.V.Pak, S.Hammes-Schiffer “Properties of the exact universal functional in multicomponent density functional theory”, J.Chem.Phys., 131, 124115, 2009
[22] M.V.Pak, A.Chakraborty, S.Hammes-Schiffer “Calculation of the positron annihilation rate in PsH with the positronic extension of the explicitly correlated nuclear-electronic orbital method”, J.Phys.Chem., A113, 4004, 2009
[21] A.Chakraborty, M.V.Pak, S.Hammes-Schiffer “Development of electron-proton density functionals for multicomponent density functional theory”, Phys.Rev.Lett., 101, 153001, 2008
[20] A.Chakraborty, M.V.Pak, S.Hammes-Schiffer “Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions”, J.Chem.Phys., 129, 014101, 2008
[19] P.Adamson, X.Duan, L.Burggraf, M.V.Pak, C.Swalina, S.Hammes-Schi?er “Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method”, J.Phys.Chem., A112, 2008, pp.1346-1351
[18] M.V.Pak, A.Chakraborty, S.Hammes-Schiffer “Density functional theory treatment of electron correlation in the nuclear-electronic orbital approach”, J.Phys.Chem., A111, 2007, pp.4522-4526
[17] C.Swalina, M.V.Pak, A.Chakraborty, S.Hammes-Schiffer “Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework”, J.Phys.Chem., 110A, 2006, pp.9983-9987
[16] J.Skone, M.V.Pak, S.Hammes-Schiffer “Nuclear-electronic orbital non-orthogonal configuration interaction approach “, J.Chem.Phys., 123, 134108, 2005
[15] C.Swalina, M.V.Pak, S.Hammes-Schiffer “Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems”, J.Chem.Phys., 123, 0143303, 2005
[14] A.Reyes, M.V.Pak, S.Hammes-Schiffer “Investigation of isotope effects with the nuclear-electronic orbital approach”, J.Chem.Phys., 123, 064104, 2005
[13] C.Swalina, M.V.Pak, S.Hammes-Schiffer “Alternative formulation of many-body perturbation theory for electron-proton correlation”, Chem.Phys.Lett., 404, 2005, pp.394-399
[12] M.V. Pak, C.Swalina, S.P.Webb, S.Hammes-Schiffer, “Application of the nuclear-electronic orbital method to hydrogen transfer systems: Multiple centers and multiconfigurational wavefunctions”, Chemical Physics, 304, 2004, pp. 227-236
[11] Michael V. Pak, S.Hammes-Schiffer, “Electron-proton correlation for hydrogen tunneling systems”, Phys.Rev.Lett., 92, Art. #103002, 2003
[10] Michael V. Pak, M.S.Gordon, “Hyperfine coupling tensors for multi-configurational quasi-degenerate perturbation theory (MCQDPT)”, J.Chem.Phys., 118 (1), 2003
[9] Michael V. Pak, M.S.Gordon, “Potential energy surfaces for the Al + O2 reaction”, J.Chem.Phys., 118 (10), 2003
[8] Michael V. Pak, M.S.Gordon, “The potential energy surfaces for AlO2 using multi-reference wave functions”, Chem.Phys.Lett., 344, 2001, pp.236-240
[7] S.Gyusung, Michael V. Pak, D.R.Reed, S.R.Kass, M.S.Gordon, “Theoretical study of oxicyclohexadienylidene isomers: electronic strucuture and molecular properties”, J.Phys.Chem., 104A, 2000, pp.11822-11828
[6] Michael V.Pak, M.S.Gordon, “Full configuration interaction and multiconfigurational spin density in boron and carbon atoms”, J.Chem.Phys., 113 (10), 2000, pp.4238-4241
[5] A.V.Tulub, V.F.Brattsev, M.V.Pak, “Electron density in the interior of nuclei with allowance for QED effects in the many-electron theory of atoms”, Phys.Atom.Nuc., 61 (4), 1998, pp.520-524
[4] A.V.Tulub, M.V.Pak, V.F.Brattsev, “Spectrum of hyperfine interaction with allowance for relativistic effects and quantum electrodynamics corrections”, Opt.Spectrosc., 82 (4) 1997, pp.491-493
[3] M.V.Pak, A.V.Tulub, V.F.Brattsev, “Spectral D-line of Na-like multicharged ions and phenomenological inclusion of the Lamb shift in many-electron systems”, Opt.Spectrosc., 80 (4), 1996, pp.507-513
[2] V.F.Brattsev, D.V.Korolkov, M.V.Pak, A.V.Tulub, “Nonrelativistic description of valence electrons in heavy atoms with account taken of relativistic effects in the electron core”, Russ. J. Gen. Chem., 65 (3), 1995, pp.305-310
[1] A.V.Tulub, V.F.Brattsev, M.V.Pak, “Correlation between the refractive index and orbital energies of xenon near the insulator-metal transition: compressed-atom model”, Opt.Spectrosc., 74 (3), 1993, pp.279- 281