Convergence of Breit–Pauli spin–orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br

Convergence of Breit–Pauli spin–orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br

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http://www.wikidata.org/entity/Q58228087
A vacuum-ultraviolet laser pulsed field ionization-photoelectron study of sulfur monoxide (SO) and its cation (SO+).Ab initio study of the RbSr electronic structure: potential energy curves, transition dipole moments, and permanent electric dipole moments.Accurate ab initio potential energy curve of O2. II. Core-valence correlations, relativistic contributions, and vibration-rotation spectrum.Accurate ab initio ro-vibronic spectroscopy of the X̃2Π CCN radical using explicitly correlated methods.Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X(1)Σ+) → CO2(X̃(1)Σg(+)).Development of spin-orbit coupling for stochastic configuration interaction techniques.A high-resolution infrared spectroscopic investigation of the halogen atom-HCN entrance channel complexes solvated in superfluid helium droplets.Accurately solving the electronic Schrodinger equation of atoms and molecules using explicitly correlated (r12-) multireference configuration interaction. VII. The hydrogen fluoride molecule.The radiative lifetime of metastable CO (a 3Pi, v=0).Theoretical calculation of the vibrational state dependent photodetachment spectra of X-H2O, X = F, Cl, Br.Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reactionAssessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities
P2860

Convergence of Breit–Pauli spin–orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br

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http://www.wikidata.org/entity/Q58228087
description
im April 2000 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 2000
@uk
name
Convergence of Breit–Pauli spi ...... he halogen atoms F, Cl, and Br
@en
Convergence of Breit–Pauli spi ...... he halogen atoms F, Cl, and Br
@nl
type
label
Convergence of Breit–Pauli spi ...... he halogen atoms F, Cl, and Br
@en
Convergence of Breit–Pauli spi ...... he halogen atoms F, Cl, and Br
@nl
prefLabel
Convergence of Breit–Pauli spi ...... he halogen atoms F, Cl, and Br
@en
Convergence of Breit–Pauli spi ...... he halogen atoms F, Cl, and Br
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P356
P1433
P1476
Convergence of Breit–Pauli spi ...... he halogen atoms F, Cl, and Br
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577