Page 16 - Valence Bond Methods. Theory and Applications
P. 16
List of abbreviations
AO atomic orbital
CI configuration interaction
CRUNCH computational resource for understanding chemistry
DZP double-zeta plus polarization
EGSO eigenvector guided sequential orthogonalization
ESð electronic Schr¨odinger equation
GAMESS general atomic and molecular electronic structure system
GGVB Goddard’s generalized valence bond
GUGA graphical unitary group approach
HLSP Heitler–London–Slater–Pauling
LCAO linear combination of atomic orbitals
LMP least motion path
MCVB multiconfiguration valence bond
MO molecular orbital
MOCI molecular orbital configuration interaction
RHF spin-restricted Hartree–Fock
ROHF spin-restricted open-shell Hartree–Fock
SEP static-exchange potential
SCF self-consistent-field
SCVB spin coupled valence bond
UHF unrestricted Hartree–Fock
VB valence bond
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