G1 |
gaussian-one (theory for
calculating molecular energies) |
G2 |
gaussian-two (an ab initio
MO theory for molecular energies calcn.) |
GA |
Glauber approximation (in
electron-atom scattering) |
GAEP |
generalized atomic effective
potential |
GAGP |
generalized antisymmetrized
geminal power (wave function) |
GAMESS |
a computer program for
solving the electronic Schr�dinger equation - M.W. Schmidt, J.A. Boatz,
K.K. Baldridge, S. Koseki, M.S. Gordon, S.T. Elbert, B. Lam, QCPE
Bull., 7, 115 (1987); also - M.F. Guest, Daresbury Laboratory,
Warrington, U.K. (1989) |
GAUSSIAN |
a computer program for
solving the electronic Schr�dinger equation - J.A. Pople and co-workers,
Gaussian Inc., Pittsburgh, PA, U.S.A |
GBA |
generalized Born approxn |
GBS |
generalized Bohr-Sommerfeld
(quantization method) |
GBT |
generalized Brillouin theorem |
GC |
grand canonical (ensemble)
(in statistical mechanics) |
GCA |
generator coordinate approxn. |
GCHF |
generator coordinate Hartree-Fock |
GCLDA |
gradient-corrected local
density approximation |
GCLSDA |
gradient-corrected local
spin density approximation |
GCM |
generator-coordinate method |
GCMC |
grand canonical Monte-Carlo
- M.P. Allen and D.J. Tildesley, Computer Simulations of Liquids
(Oxford Science Publications, Oxford, 1990), Chapter 4 |
GCO |
general coupling operator
(in calcns. of vector coupling for atoms and ions) |
GDF |
generalized density-functional
(theory) |
GDIM |
generalized diatomics-in-molecules
(theory) |
GDO |
generalized diatomic orbital |
GDT |
generalized dilatation
transformation (method in study of stationarity principle for atomic
and molecular resonance states) |
GDWB |
generalized distorted-wave
Born (approxn. or theory) |
GEA |
gradient-expansion approxn.
(in exchange-energy calcns.) |
GEASIC |
gradient-expansion approxn.
self-interaction correction (functional, in total-energy calcns. for
atoms) |
GEH |
generalized effective hamiltonian |
GEKT |
generalized extended Koopmans
theorem |
GFEMO |
generalized free electron
molecular orbital |
GFF |
Green function formalism |
GFHF |
Galitskii-Feynman-Hartree-Fock |
GFMC |
Green function Monte-Carlo
(quantum method) |
GFMT |
Green function muffin tin
(method in electronic structure study) |
GFPE |
generalized Fokker-Planck
equation D.A. McQuarrie, Statistical Mechanics (Harper and
Row, New York, 1976) |
GFQMC |
Green function quantum
Monte-Carlo |
GGA |
generalized gradient approxn. |
GGC |
generalized gradient-corrected
(density-functional) |
GGWD |
generalized gaussian wave-packet
dynamics |
GGWPD |
generalized gaussian wave-packet
dynamics |
GHF |
(1) generalized Hartree-Fock
method (2) generalized Hellmann-Feynman (theorem) |
GHL |
generalized Heitler-London |
GHO |
generalized hybrid orbital
(AO) |
GHW-HF |
Griffin-Hill-Wheeler-Hartree-Fock |
GI |
many electron wave functions
that are simultaneously eigen-functions of the total spin projection
operators and satisfy the Pauli principle |
GIAO |
(1) gauge independent atomic
orbitals - R. Ditchfield, Molec. Phys., 27, 789 (1974) (2)
gauge-including atomic orbital (3) gauge invariant atomic orbital |
GIOS |
generalized infinite order
sudden |
GIPM |
ground state inversion
potential method (in photoionization cross sections calcn.) |
GIPM/D |
ground state inversion
potential method including diffraction |
GIPQ |
gauge-invariant periodic
quantization |
GKS |
Gaspar-Kohn-Sham (potential
for exchange and correlation in band structure calcns.) |
GLAO |
generalized localized AO |
GLE |
generalized Langevin equation
- D.A. McQuarrie, Statistical Mechanics (Harper and Row, New
York, 1976) |
GLF |
gaussian lobe function |
GLJ |
generalized Lennard-Jones
(potential) |
GLO |
gaussian lobe orbital |
GMC |
Gibbs Monte-Carlo (method
for direct simulation of fliud phase equilbria) - A.Z.S. Panagiotopoulos
A.J. and M. Alderton, Mol. Phys., 61, 813 (1987) |
GMD |
grand canonical molecular
dynamics. |
GME |
generalized master equation
(in quantum statistical mechanics) |
GMO |
(1) generalized molecular
orbital (2) group molecular orbital |
GMP |
generalized M�ller-Plesset
(perturbation theory) |
GMP2 |
generalized M�ller-Plesset
second-order (perturbation theory) |
GNLSE |
generalized nonlinear Schr�dinger
equation |
GNMP |
generalized nonlocal model
potential |
GNO |
geminal natural orbital |
GNVP |
generalized Newton variational
principle |
GO |
(1) gaussian overlap (approxn.
in molecular calcns.) (2) generalized overlap |
GOCE |
gaussian overlap potential
with constant well depth |
GOE |
gaussian orthogonal ensemble
(of random matrices in quantum chaoticity study in atomic and nuclear
energy levels) |
GOPW |
gaussian orthogonalized
plane wave |
GOS |
generalized oscillator
strength |
GO-SCF |
gaussian orbital self-consistent
field |
GPEF |
generalized potential energy
function |
GPF |
gaussian polarization function |
GPM |
generalized perturbation
method (in electronic theory of phase stability of alloys) |
GPS |
generalized phase shift
formalism |
GPT |
generalized pseudopotential
theory |
GPUCHF |
geometric perturbed uncoupled
Hartree-Fock method |
GQDPT |
generalized quasidegenerate
perturbation theory |
GRHF |
generalized restricted
Hartree-Fock |
GRINDOL |
ghost (and) Rydberg INDO |
GROMOS |
a computer program for
simulation of macromolecules - W.F. van Gunsteren, H.J.C. Berensden,
Univerisity of Groningen, The Netherlands. |
GRPA |
generalized random-phase
approximation |
GRVB |
generalized resonating
valence bond |
GRWA |
generalized rotating-wave
approxn. (in energy level calcns.) |
GS |
Gelius-Siegbahn (MO approxn.) |
GSA |
(1) generalized sudden
approximation (2) generator-state approach (in many-body quantum theory) |
GSAC |
generalized symmetry adapted
cluster (theory) |
GSBE |
generalized semiconductor
Bloch equations - J. R. Kuklinski and S. Mukamel, Phys. Rev. B
44, 11,253 |
GSCF |
generalized self-consistent
field |
GSCRF |
generalized self-consistent
reaction field |
GSLO |
group symmetric localized
orbital. |
GSMO |
ground-state molecular
orbital |
GSNO |
ground-state natural orbital |
GSO |
general spin orbital |
GSZ |
Green-Sellin-Zachor model
potential (for atoms) |
GT |
(1) general term of the
interaction potential (2) Gelfand-Tsetlin basis function |
GTDA |
generalized Tamm-Dancoff
approximation |
GTF |
gaussian-type (wave) function |
GTG |
gaussian-type geminal |
GTO |
gaussian-type orbital -
W. J. Hehre, L. Radom, P. v. R. Schleyer and J. A. Pople, Ab Initio
Molecular Orbital Theory (Wiley-Interscience, 1986), p. 18 |
GTST |
generalised transition
state theory B.C. Garrett and D.G. Truhlar, J. Phys. Chem.,
83, 1052 (1979) |
GUE |
gaussian unitary ensemble
(of random matrixes in quantum-transport studies) |
GUGA |
graphical unitary group
approach |
GVB |
generalized valence bond
- W. J. Hunt, P. J. Hay, and W. A. Goddard, J. Chem. Phys.
57, 738 (1972) |
GVB-CI |
generalized valence bond-configuration
interaction (wave function) |
GVB-MDSA |
generalized valence bond-molecular
dynamics simulated annealing |
GVB-PP |
generalized valence bond-perfect
pairing (wave function) |
GVDW |
generalized van der waals
(a free-energy density-functional theory) |
GVFF |
generalized valence force
field |
GVV |
generalised Van Vleck nearly
degenerate perturbation theory |
GVVPT |
generalised Van Vleck nearly
degenerate perturbation theory |
GW |
one-particle Green function(g)-screened
Coulomb interaction(w) |
GWB |
Gopinathan-Whitehead-Bogdanovic
(Fermi-hole parameters) |
GWD |
gaussian wave packet dynamics |
GWF |
generalized Wannier function |
GWHF |
Griffin-Wheeler-Hartree-Fock |
GWP |
gaussian wave packet |
GW-PG |
gaussian-weighted planar
grid (method in calcns. of electron-momentum distributions) |
GWPM |
gaussian wave-packet method |
GX |
generalized exchange |