| 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) |
