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Analytic Gradients for Selected Configuration Interaction
Jeremy P. Coe
Institute of Chemical Sciences
School of Engineering & Physical Sciences
Research output
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Contribution to journal
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Article
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peer-review
7
Citations (Scopus)
57
Downloads (Pure)
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INIS
ammonia
25%
bond lengths
25%
carbon monoxide
25%
configuration interaction
100%
equations
25%
geometry
25%
hartree-fock method
25%
hydrogen 4
25%
hydrogen 6
25%
instability
25%
irreducible representations
25%
methane
25%
molecular orbital method
25%
range
25%
symmetry
50%
wave functions
25%
Mathematics
Abelian Subgroup
100%
Irreducible Representation
100%
Molecular Orbital
100%
wavefunction ψ
100%
Chemistry
Bond Length
25%
Carbon Monoxide
25%
Configuration Interaction
100%
Methane
25%
Molecular Orbital
25%
Wave Function
25%
Engineering
Methane
100%
Molecular Orbital
100%
Earth and Planetary Sciences
Carbon Monoxide
25%
Configuration Interaction
100%
Methane
25%
Wave Function
25%
Material Science
Carbon Monoxide
100%