| OAO |
orthogonalized
atomic orbital |
| OBE |
optical Bloch
equations (combining the Schr�dinger and Maxwell equations for the
interaction of a molecule with a radiation field - J Akerhalt and
B. Shore, Phys. Rev., A16, 277 (1977) |
| OBK |
Oppenheimer-Brinkman-Kramers
(approxn. in atom-ion electron-exchange calcns.) |
| OBK2 |
second-order
Oppenheimer-Brinkman-Kramers |
| OBK3 |
third-order
Oppenheimer-Brinkman-Kramers |
| OBS-MCSC |
optimized basis
set-multiconfiguration spin coupled |
| OCAMS |
orbital correspondence
analysis in maximum symmetry |
| OCBSE |
orthogonality
constrained basis set expansion prodedure |
| OCCSD |
open-shell
coupled-cluster (with) single (and) double (excitations) |
| OCD |
overlapping
charge density (model in electronic structure) |
| OCE |
one-center
expansion (SCF MO method) |
| OCE-DF |
one-center
expansion Dirac-Fock |
| OCEE |
overlap corrected
electronegativity equalization |
| OCH |
Ochkur (approxn.
in electron-atom scattering calcns.) |
| OCOS |
orbital charge-ordering
state |
| OCSC |
orbital-charge-self-consistent
(in electronic state calcn.) |
| OCT |
optimized cluster
theory |
| ODC |
optimized double
configuration |
| ODCPA |
off-diagonal
(disorder) coherent-potential approxn |
| ODFS |
optimized Dirac-Fock-Slater |
| ODLRO |
off-diagonal
long-range order |
| ODP |
optical deformation
potential |
| OEAO |
overlap enhanced
atomic orbital |
| OEDM |
one-electron
diatomic molecule method |
| OEH |
one-electron
Hamiltonian (quantum method) |
| OEMO |
one electron
molecular orbital |
| OEMTB |
one-electron
molecular tight-binding (for electronic structure) |
| OEO |
overlap-enhanced
orbital |
| OEP |
optimized effective-potential
(quantum method) |
| OEP-SIC |
optimized effective
potential self-interaction correction |
| OFPT |
operator form
(of) perturbation theory |
| OHAO |
orthogonalized
hybrid atomic orbital |
| OHCE |
one-and-a-half-centered
expansion (method for calcns. on charge transfer in ion-atom scattering) |
| OHFS |
optimized Hartree-Fock-Slater |
| OIP |
optimized inner
projection (method for molecular property calcns.) |
| OLCAO |
orthogonalized
linear combination of atomic orbitals |
| OLDRO |
off-diagonal
long-range order |
| OLPA |
orbital local
plasma approxn. (in stopping power calcn. for ions by films) |
| OMEGA |
method in molecular
orbital calculations |
| OMO |
(1) orthogonalized
magnetic orbital (2) orthonormal molecular orbital |
| OMP |
optimized model
potential |
| OMPW |
orthogonalized
modulated plane wave (wave function) |
| OMTP |
overlap-multipole-expansion
procedure |
| ONCV |
orthonormality
constrained variation (quantum method) |
| OODR |
optical-optical
double resonance |
| OP |
overlap population |
| OPCI |
optimum path
for intrinsic coordinate |
| OPGF |
one-particle
Green function |
| OPHF |
orbital-polarized
Hartree-Fock |
| OPLS |
optimized potentials
for liquid simulations - W.L. Jorgensen and J. Tirado-Ries, J.
Am. Chem. Soc., 110, 1657 (1988) |
| OPM |
optimized potential
model |
| OPT |
open-shell
perturbation theory |
| OPW |
orthogonalized
plane wave |
| OREM |
off-ridge eigenvector
minimization |
| OREMWA |
off-ridge eigenvector
minimization with annealing |
| ORPA |
optimized random
phase approximation |
| ORPP |
optimized relativistic
pseudopotential |
| ORSTB |
overlap-reduced
semiempirical tight-binding |
| OS |
overlapping
spheres (method) |
| OSCCM |
open-shell
coupled-cluster method (in electronic property calcn.) |
| OSM |
overlapping
sphere model |
| OSMSX(ALPHA) |
overlapping-sphere
multiple-scattering X(alpha) |
| OSRHF |
open-shell
restricted-Hartree-Fock |
| OSRSCF |
open-shell
restricted SCF |
| OTA |
optimal trajectory
approach |
| OTF |
optimized Thomas-Fermi
theory |
| OVB |
orthogonalized
valence bond method |
| OVC |
optimized valence
configuration |
| OVFF |
orbital valence
force field |
| OVGF |
outer valence
Green function method (for ionization-energy calcns.) - L. S. Cederbaum,
Theor. Chim. Acta , 31, 139 (1973); J. Phys. B, 8, 290
(1975) |
| OVMO |
occupied valence-type
mol. orbital |
| OVOS |
optimized virtual
orbital space approximation (for correlated calcns.) |
| OWVP |
outgoing wave
variational principle |
