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FormatDateTitleAuthor
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doc icon DUGiDocs 2014 Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom Cioslowski, Jerzy ; Strasburger, Krzysztof ; Matito i Gras, Eduard
out url icon Recercat Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom Cioslowski, Jerzy ; Strasburger, Krzysztof ; Matito i Gras, Eduard
out url icon Recercat Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom Cioslowski, Jerzy ; Strasburger, Krzysztof ; Matito i Gras, Eduard
out url icon Recercat 2018 June 1 Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom
out url icon Recercat 2018 June 5 Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom Cioslowski, Jerzy ; Strasburger, Krzysztof ; Matito i Gras, Eduard
doc icon DUGiDocs 2002 A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llin脿s, Xavier
out url icon Recercat 2020 February 15 A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llin脿s, Xavier
doc icon DUGiDocs 1996 A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
out url icon Recercat A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
out url icon Recercat 2020 February 15 A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Sol脿 i Puig, Miquel ; Mestres i L贸pez, Jordi ; Carb贸-Dorca, Ramon ; Duran i Portas, Miquel
doc icon DUGiDocs Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms Vyboishchikov, Sergei F.
out url icon Recercat 2020 February 15 Effect of basis set superposition error on the electron density of molecular complexes Salvador Sedano, Pedro ; Fradera i Llin脿s, Xavier ; Duran i Portas, Miquel
out url icon Recercat Electron Localization Function at the Correlated Level: A Natural Orbital Formulation Feixas Geron猫s, Ferran ; Matito i Gras, Eduard ; Duran i Portas, Miquel ; Sol脿 i Puig, Miquel ; Silvi, Bernard
doc icon DUGiDocs 2010 Electron Localization Function at the Correlated Level: A Natural Orbital Formulation Feixas Geron猫s, Ferran ; Matito i Gras, Eduard ; Duran i Portas, Miquel ; Sol脿 i Puig, Miquel ; Silvi, Bernard
out url icon Recercat 2020 February 15 The electron-pair density distribution of the 1,3螤u excited states of H2 Mercero, J. M. ; Rodr铆guez-Mayorga, M. ; Rodr铆guez Mayorga, Mauricio ; Matito i Gras, Eduard ; Lopez, Xabier ; Ugalde, Jesus M.
doc icon DUGiDocs 1997 A quantum molecular similarity analysis of changes in molecular electron density caused by basis set flotation and electric field application Simon i Rabasseda, S铆lvia ; Duran i Portas, Miquel
out url icon Recercat A quantum molecular similarity analysis of changes in molecular electron density caused by basis set flotation and electric field application Simon i Rabasseda, S铆lvia ; Duran i Portas, Miquel
out url icon Recercat 2020 February 15 The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i Llin脿s, Xavier ; Duran i Portas, Miquel ; Mestres i L贸pez, Jordi
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