Sergey V. Levchenko, Ph.D. - Publications

 2005 University of Southern California, Los Angeles, CA, United States 
Computational Studies of Electronic Structure and Spectroscopy of Open-Shell and Electronically Excited Species

33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Fujimori Y, Zhao X, Shao X, Levchenko SV, Nilius N, Sterrer M, Freund HJ. Interaction of Water with the CaO(001) Surface Journal of Physical Chemistry C. 120: 5565-5576. DOI: 10.1021/acs.jpcc.6b00433  1
2015 Ghiringhelli LM, Vybiral J, Levchenko SV, Draxl C, Scheffler M. Big data of materials science: critical role of the descriptor. Physical Review Letters. 114: 105503. PMID 25815947 DOI: 10.1103/PhysRevLett.114.105503  1
2015 Richter NA, Stavale F, Levchenko SV, Nilius N, Freund HJ, Scheffler M. Defect complexes in Li-doped MgO Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.195305  1
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Levchenko SV, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  1
2015 Zhao X, Shao X, Fujimori Y, Bhattacharya S, Ghiringhelli LM, Freund HJ, Sterrer M, Nilius N, Levchenko SV. Formation of water chains on CaO(001): What drives the 1D growth? Journal of Physical Chemistry Letters. 6: 1204-1208. DOI: 10.1021/acs.jpclett.5b00223  1
2015 Ghiringhelli LM, Levchenko SV. Strengthening gold-gold bonds by complexing gold clusters with noble gases Inorganic Chemistry Communications. 55: 153-156. DOI: 10.1016/j.inoche.2015.03.010  1
2015 Levchenko SV, Ren X, Wieferink J, Johanni R, Rinke P, Blum V, Scheffler M. Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework Computer Physics Communications. 192: 60-69. DOI: 10.1016/j.cpc.2015.02.021  1
2014 Bhattacharya S, Levchenko SV, Ghiringhelli LM, Scheffler M. Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: Benchmark of cascade genetic algorithms New Journal of Physics. 16. DOI: 10.1088/1367-2630/16/12/123016  1
2014 Kirsch H, Zhao X, Ren Z, Levchenko SV, Wolf M, Campen RK. Controlling CH2 dissociation on Ru(0001) through surface site blocking by adsorbed hydrogen Journal of Catalysis. 320: 89-96. DOI: 10.1016/j.jcat.2014.09.023  1
2013 Richter NA, Sicolo S, Levchenko SV, Sauer J, Scheffler M. Concentration of vacancies at metal-oxide surfaces: case study of MgO(100). Physical Review Letters. 111: 045502. PMID 23931382 DOI: 10.1103/PhysRevLett.111.045502  1
2013 Marom N, DiStasio RA, Atalla V, Levchenko S, Reilly AM, Chelikowsky JR, Leiserowitz L, Tkatchenko A. Many-body dispersion interactions in molecular crystal polymorphism. Angewandte Chemie (International Ed. in English). 52: 6629-32. PMID 23681762 DOI: 10.1002/anie.201301938  1
2013 Bhattacharya S, Levchenko SV, Ghiringhelli LM, Scheffler M. Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of MgMO x Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.135501  1
2012 Jiang L, Levchenko SV, Rappe AM. Rigorous definition of oxidation states of ions in solids. Physical Review Letters. 108: 166403. PMID 22680739 DOI: 10.1103/PhysRevLett.108.166403  1
2012 Méndez Polanco MA, Grinberg I, Kolpak AM, Levchenko SV, Pynn C, Rappe AM. Stabilization of highly polarized PbTiO 3 nanoscale capacitors due to in-plane symmetry breaking at the interface Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.214107  1
2012 Paz-Borbón LO, Barcaro G, Fortunelli A, Levchenko SV. Au N clusters (N=1 - 6) supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.155409  1
2011 Arndt S, Laugel G, Levchenko S, Horn R, Baerns M, Scheffler M, Schlögl R, Schomäcker R. A critical assessment of Li/MgO-Based catalysts for the oxidative coupling of methane Catalysis Reviews - Science and Engineering. 53: 424-514. DOI: 10.1080/01614940.2011.613330  1
2010 Myrach P, Nilius N, Levchenko SV, Gonchar A, Risse T, Dinse KP, Boatner LA, Frandsen W, Horn R, Freund HJ, Schlögl R, Scheffler M. Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO Chemcatchem. 2: 854-862. DOI: 10.1002/cctc.201000083  1
2009 Qi T, Levchenko SV, Bennett JW, Grinberg I, Rappe AM. New prospects for high performance SONAR, chemical sensor, and communication device materials Department of Defense Proceedings of the High Performance Computing Modernization Program - Users Group Conference, Hpcmp-Ugc 2009. 197-204. DOI: 10.1109/HPCMP-UGC.2009.34  1
2008 Levchenko SV, Rappe AM. Influence of ferroelectric polarization on the equilibrium stoichiometry of lithium niobate (0001) surfaces. Physical Review Letters. 100: 256101. PMID 18643676 DOI: 10.1103/PhysRevLett.100.256101  1
2008 Levchenko S, Syrbu NN, Tezlevan VE, Arushanov E, Merino JM, León M. Exciton spectra and energy band structure of CuGaSe2 single crystals Journal of Physics D: Applied Physics. 41. DOI: 10.1088/0022-3727/41/5/055403  1
2007 Lee MW, Levchenko SV, Rappe AM. Force calculation of polyatomic molecules in quantum Monte Carlo using Pulay's corrections Molecular Physics. 105: 2493-2497. DOI: 10.1080/00268970701537947  1
2007 Krylov AI, Slipchenko LV, Levchenko SV. Breaking the curse of the non-dynamical correlation problem: The spin - Flip method Acs Symposium Series. 958: 89-102.  1
2006 Levchenko SV, Reisler H, Krylov AI, Gessner O, Stolow A, Shi H, East AL. Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states. The Journal of Chemical Physics. 125: 084301. PMID 16965006 DOI: 10.1063/1.2222355  1
2006 Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/b517914a  1
2006 Koziol L, Levchenko SV, Krylov AI. Beyond vinyl: electronic structure of unsaturated propen-1-yl, propen-2-yl, 1-buten-2-yl, and trans-2-buten-2-yl hydrocarbon radicals. The Journal of Physical Chemistry. A. 110: 2746-58. PMID 16494386 DOI: 10.1021/jp055375r  1
2006 Gessner O, Lee AM, Shaffer JP, Reisler H, Levchenko SV, Krylov AI, Underwood JG, Shi H, East AL, Wardlaw DM, Chrysostom ET, Hayden CC, Stolow A. Femtosecond multidimensional imaging of a molecular dissociation. Science (New York, N.Y.). 311: 219-22. PMID 16357226 DOI: 10.1126/science.1120779  1
2005 Levchenko SV, Wang T, Krylov AI. Analytic gradients for the spin-conserving and spin-flipping equation-of-motion coupled-cluster models with single and double substitutions. The Journal of Chemical Physics. 122: 224106. PMID 15974650 DOI: 10.1063/1.1877072  1
2004 Levchenko SV, Krylov AI. Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene. The Journal of Chemical Physics. 120: 175-85. PMID 15267275 DOI: 10.1063/1.1630018  1
2003 Levchenko SV, Demyanenko AV, Dribinski VL, Potter AB, Reisler H, Krylov AI. Rydberg-valence interactions in CH2Cl→CH2+Cl photodissociation: Dependence of absorption probability on ground state vibrational excitation Journal of Chemical Physics. 118: 9233-9240. DOI: 10.1063/1.1568076  1
2002 Levchenko SV, Krylov AI. Electronic structure of halogen-substituted methyl radicals: Equilibrium geometries and vibrational spectra of CH2Cl and CH2F Journal of Physical Chemistry A. 106: 5169-5176. DOI: 10.1021/jp020275w  1
2001 Levchenko SV, Krylov AI. Electronic structure of halogen-substituted methyl radicals: Excited states of CH2Cl and CH2F Journal of Chemical Physics. 115: 7485-7494. DOI: 10.1063/1.1400143  1
1999 Gordeev AV, Levchenko SV. Relativistic electron-fluid model of an applied-B ion diode Plasma Physics Reports. 25: 193-201.  1
1998 Gordeev AV, Levchenko SV. Is the Abrikosov model applicable for describing electronic vortices in plasmas? Jetp Letters. 67: 482-488. DOI: 10.1134/1.567714  1
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