Convergence of Breit–Pauli spin–orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br
about
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
Q33874133-E81068DF-1025-40B9-A241-36C8C1577294Q41664860-3B4F91C9-6E73-4446-B858-40B0DC3143EDQ43681348-E7C0AF68-6581-417D-AB9C-177823FA50F1Q43900393-2C8C01F1-5C00-4FFD-A911-18215A598406Q46111980-B766AECC-D11C-4C6E-848E-B777481AB71AQ46259048-83548C93-FF00-4721-9B70-7F1B0DF13EFEQ48419166-50DB8E93-98A1-4ACD-8644-9FBEB4008639Q51968129-B6C299C3-69BE-46BB-B656-356F11416356Q52921608-E4DF10D3-C90E-4FE3-A035-4B1ECCEB34B9Q54102800-D8F3B69A-15B9-472C-A5A4-14307BF594C0Q58280610-1CD03E19-2965-4BE9-A97D-CD2CF9CEB292Q58738760-8B8D1CA3-5C9D-433F-A7EF-C511FB6FB6FE
P2860
Convergence of Breit–Pauli spin–orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br
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
P2093
P2860
P356
P1476
Convergence of Breit–Pauli spi ...... he halogen atoms F, Cl, and Br
@en
P2093
Andreas Berning
Andreas Nicklass
Kirk A. Peterson
P2860
P304
P356
10.1063/1.481137
P407
P577
2000-04-01T00:00:00Z