| 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 |
