Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X Σ1g+, B Δ1g, and B′ Σ1g+ states of C2

Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X Σ1g+, B Δ1g, and B′ Σ1g+ states of C2

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http://www.wikidata.org/entity/Q57966441
Quadruple bonding in C2 and analogous eight-valence electron speciesAccurate double many-body expansion potential energy surface by extrapolation to the complete basis set limit and dynamics calculations for ground state of NH2.Combined-hyperbolic-inverse-power-representation of potential energy surfaces: a preliminary assessment for H3 and HO2.DFT assessment of the spectroscopic constants and absorption spectra of neutral and charged diatomic species of group 11 and 14 elements.Excited states using semistochastic heat-bath configuration interaction.Practical approximation of the non-adiabatic coupling terms for same-symmetry interstate crossings by using adiabatic potential energies only.Cn (n=2-4): current status.Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation.Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C3 radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactionsOdd-hydrogen: An account on electronic structure, kinetics, and role of water in mediating reactions with atmospheric ozone. Just a catalyst or far beyond?Accurate ab initio-based double many-body expansion adiabatic potential energy surface for the 22 A′ state of NH2 by extrapolation to the complete basis set limitN(4S /2D)+N2: Accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamicsOn the stability of the elusive HO3 radicalAccurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limitAccurate ab initio potential energy curves for the classic Li–F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the radial nonadiabatic coupling
P2860

Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X Σ1g+, B Δ1g, and B′ Σ1g+ states of C2

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http://www.wikidata.org/entity/Q57966441
description
article
@en
im Dezember 2008 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в грудні 2008
@uk
name
Extrapolation to the complete- ......  Δ1g, and B′ Σ1g+ states of C2
@en
Extrapolation to the complete- ......  Δ1g, and B′ Σ1g+ states of C2
@nl
type
label
Extrapolation to the complete- ......  Δ1g, and B′ Σ1g+ states of C2
@en
Extrapolation to the complete- ......  Δ1g, and B′ Σ1g+ states of C2
@nl
prefLabel
Extrapolation to the complete- ......  Δ1g, and B′ Σ1g+ states of C2
@en
Extrapolation to the complete- ......  Δ1g, and B′ Σ1g+ states of C2
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P356
P1433
P1476
Extrapolation to the complete- ...... and B' 1Sigma(g)+ states of C2
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698