International Journal of Quantum Chemistry

Journal Abbreviation: INT J QUANTUM CHEM
ISSN: 0020-7608
Publisher: Wiley-Blackwell

Publications (22)

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Abstract

Half-Projected Hartree-Fock method: History and application to excited states of the same symmetry as the ground state (2022) Ruiz MB Journal article, Review article Exponentially correlated Hylleraas-configuration interaction studies of atomic systems. II. Non-relativistic energies of the 1 S-1 through 6 S-1 states of the Li+ ion (2021) Sims JS, Padhy B, Ruiz MB Journal article pysisyphus: Exploring potential energy surfaces in ground and excited states (2021) Steinmetzer J, Kupfer S, Gräfe S Journal article Exponentially correlated Hylleraas-configuration interaction nonrelativistic energy of the 1S ground state of the helium atom (2020) Sims JS, Padhy B, Ruiz MB Journal article Toward separation of hydrogen isotopologues by exploiting zero-point energy difference at strongly attractive adsorption site models (2018) Wulf T, Heine T Journal article Water exchange rates and mechanisms in tetrahedral [Be(H2O)(4)](2+) and [Li(H2O)(4)](+) complexes using DFT methods and cluster-continuum models (2016) Regueiro-Figueroa M, Esteban-Gomez D, Pujales Paradela R, Caneda-Martínez L, de Blas A, Platas-Iglesias C Journal article Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory (2016) Partovi-Azar P, Berg M, Sanna S, Kühne TD Journal article Resonating valence bond quantum Monte Carlo: Application to the ozone molecule (2015) Azadi S, Singh R, Kühne TD Journal article Reaction cycles and poisoning in catalysis by gold clusters: A thermodynamics approach (2014) Beret EC, Van Wijk MM, Ghiringhelli LM Journal article Electronic energy functionals: Levy-Lieb principle within the ground state path integral quantum Monte Carlo (2013) Delle Site L, Ghiringhelli LM, Ceperley DM Journal article
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