FAAO |
free-atom atomic
orbital |
FAKE |
fast accurate
kinetic-energy (mo method) |
FAO |
(1) floating
atomic orbital (2) frozen atomic orbital |
FARM |
fixed-angle
reaction model (in quantum calcns. on reactive scattering) |
FBA |
first Born
approximation |
FBR |
finite basis
representation (in wave function calcn. for nuclear motion on potential
energy surface) |
FC |
(1) frozen
core (approxn. for electron-atom scattering calcns.) (2) Franck-Condon
(principle or factor) |
FCA |
frozen-core
appproximation |
FCHF |
frozen-core
Hartree-Fock |
FCI |
full configuration
interaction |
FCM |
finite-cluster
model (for calcns. on electromigration) |
FCP |
function counterpoise
(method for eliminating basis set superposition error) - S.F. Boys
and F. Bernardi, Mol. Phys., 19, 553 (1970). |
FCSA |
frequency-corrected
sudden approxn. (in mol. collision calcns.) |
FDBVM |
finite difference
boundary value method |
FEGE |
free electron
gas exchange approximation |
FEGO |
floating ellipsoidal
gaussian orbital |
FEM |
(1) finite
element method (in at.. Hartree-Fock calcns.) (2) free electron model |
FEMO |
free-electron
molecular orbital |
FEMP |
free of empirical
parameters (e.g., SINDO/FEMP) |
FEN |
free electron
network |
FEOE |
full equalization
of orbital electronegativity |
FFM |
finite field
method (in molecular polarizabilities calcns.) |
FF-MBPT |
finite-field
many-body perturbation theory |
FFT |
fast Fourier
transform - A.H. Press, B.P. Flannery, S.A. Teukolsky, and W.T. Vetterling,
Numerical Recipes (Fortran Version) (Cambridge University Press,
New York, 1989) |
FG |
FG (matrix
method in normal mode analysis: F = force-constant matrix; G = mass
matrix) - E.B. Wilson Jnr, J.C. Decius, and P.C. Cross, Molecular
Vibrations. The theory of infrared and raman vibrational spectra
(McGraw Hill, New York, 1955 (reprinted in 1980 by Dover Books)) |
FGH |
Fourier-grid
hamiltonian |
FHBS |
finite Hilbert
basis set |
FHMO |
Fenske-Hall
molecular orbital |
FHNC |
Fermi hypernetted
chain method (in quantum statistics) |
FID |
free induction
decay function (a distribution function of quantum spins in a crystal) |
FIM |
forced impulse
method (in atom ion-impact ionization) |
FIP |
full intra-pair
(spin-coupling) (wave function) |
FISCI |
final ionic
state configuration interaction |
FLAPW |
full-potential
linearized augmented plane wave |
FLCAO |
factorized
LCAO |
FLMTO |
film linearized
muffin-tin orbital (for surface electronic structure calcns.) |
FLO |
face localized
orbital |
FMAP |
Fano-Macek
alignment parameter (in electron-impact excitation of ions) |
FMF |
frozen molecular
fragment (method in calcn. of intermolecular potentials and charge
distributions) |
FMO |
(1) floating
molecular orbital (2) frontier molecular orbital |
FMTBA |
fitted modified
tight-binding approxn. |
FNO |
frozen natural
orbital |
FOA |
frozen orbital
approximation |
FOCI |
first-order
configuration interaction |
FOCO |
first-order
correlation orbital |
FO-CPHF |
first-order
coupled perturbed Hartree-Fock theory |
FOE |
first-order
exchange (in electron-atom scattering calcn.) |
FOEA |
first-order
Eikonal approximation |
FO-ECP |
frozen orbital-effective
core potential |
FOGO |
floating orbital
geometry optimization |
FOJT |
first-order
Jahn-Teller |
FOM |
(1) forced
oscillator model- H.K. Shin, in Dynamics of Molecular Collisions,
edited by W.H. Miller, (Plenum Press, New York, 1976), Vol. A,
p. 131 (2) frozen orientation model |
FOMBT |
first-order
many-body theory |
FO-NACME |
first-order
nonadiabatic coupling matrix elements |
FONDA |
first order
non-degenerate adiabatic (approximation) |
FOND PT |
finite-order
nondegenerate perturbation theory |
FOPIM |
first order
perturbation iteration method |
FOPPA |
first-order
polarization propagator approxn. |
FORS |
full optimized
reaction space |
FOS |
first-order
sudden |
FOTO |
forced oscillation
of tightening oscillator |
FOTOS |
first-order
theory of oscillator strength |
FOURPI |
Fourier path
integral |
FP |
finite perturbation |
FPC |
fractional
parentage coefficient (in group-theory calcns.) |
FPI |
Fourier path
integral |
FP-LMTO |
full-potential
linear combination of muffin-tin orbitals |
FP-MC |
finite perturbation-multiconfigurational
method |
FPP |
finite perturbation
and polarization |
FP-SCF-INDO |
finite perturbation-SCF-INDO |
FPT |
finite field
perturbation theory |
FQO |
forced quantum
oscillator method the following discusses aspects of FQO, although
the acronym is not used - H.K. Shin, in Dynamics of Molecular Collisions,
edited by W.H. Miller, (Plenum Press, New York, 1976), Vol. A,
p. 131 |
FRC |
frozen core
approxn. |
FRSW |
finite range
scattering wave function |
FSGO |
floating spherical
gaussian orbital - A. A. Frost, J. Chem. Phys. 47, 3707 (1967) |
FSMRCC |
Fock space
multireference coupled cluster |
FSMRCCSD |
Fock space
multireference coupled cluster (with) single (and) double excitations |
FTHF |
finite-temperature
Hartree-Fock |
FTHFB |
finite-temperature
Hartree-Fock-Bogolyubov |
FTOTF |
finite temperature
optimized Thomas-Fermi theory. |
FTST |
flexible transition
state theory - D.M. Wardlaw and R.A. Marcus, J. Chem. Phys.,
83, 3462 (1985) |
FV-CAS-SCF |
full valence-complete
active space-SCF |
FVEH |
fragment valence
effective hamiltonian (in electronic-structure calcns. on mol. fragments) |
FV-MC-SCF |
full valence
multiconfiguration self-consistent field |
FVRCI |
full valence
Rydberg configuration interaction |
FVVM |
finite volume
variational method (for molecular calcns.) |
FWE |
Faddeev-Watson
expansion (for t-operator in atomic collisions) |