| B1B |
(Coulomb) boundary-corrected
first Born (for scattering) |
| B2B |
boundary-corrected
second Born (for scattering) |
| BA |
best atom (basis
set) |
| BA + P |
best atom +
polarization function |
| BAC |
bond additivity
correction |
| BAC-MP4 |
bond-additivity-corrected
Mller-Plesset 4th-order perturbation |
| BAO |
best atomic
orbital basis |
| BAW |
bond-order
alternation wave (MO) |
| BBFM |
bond-bending
force model (for phonon calcns.) |
| BBGKY |
Bogoliubov-Born-Green-Kirkwood-Yvon
equations (in kinetic theory of fluids) - P. Resibois and M. de Leener,
Classical Kinetic Theory of Fluids (Wiley, New York, (1977) |
| BCA |
binary-collision
approximation |
| BCC |
Brueckner coupled
cluster |
| BCCD |
Brueckner coupled
cluster with double excitations |
| BCM |
bond charge
model (in force constants calcn.) |
| BCO |
bounded crystal
orbital |
| BCRLM |
bending corrected
rotating linear model - R.B. Walker and E.F. Hayes in D.C. Clary,
ed., The Theory of Chemical Reaction Dynamics (D. Reidel, Dordrecht,
1986) p 105 |
| BCRNM |
bending corrected
rotating nonlinear model |
| BCS |
Bardeen-Cooper-Schrieffer
(shell model calculations) |
| BCSLN |
Bardeen-Cooper-Schrieffer-Lipkin-Nogami
(model in calcns. on molecules with quantum field theory) |
| BD |
Brueckner (orbitals
with) double (substitution) (in electron correlation) |
| BDE |
bond dissociation
energy. |
| BDT |
Brueckner (with)
double (and) triple (substitutions) |
| BDTQ |
Brueckner (with)
double, triple, (and) quadratic (substitution) |
| BEA |
binary encounter
approximation |
| BEBO |
bond energy
bond order method |
| BEBO/R |
relaxed bond
energy-bond order method |
| BET |
bond equilibrium
theory |
| BF |
(1) body fixed
(see BFF) (2) Buckingham-Fowler potential function - A.D. Buckingham
and P.W. Fowler, J. Chem. Phys., 79, 6426 (1983) |
| BFBF |
body frame
Bessel function |
| BFF |
body fixed
frame (for quantum scattering calculations) - R.T. Pack, J. Chem.
Phys., 60, 633 (1974) |
| BFT |
bonded function
theory |
| BGK |
Bhatnagar-Gross-Krook
(kinetic-theory model for reactive collisions) |
| BH |
Barbanis hamiltonian |
| BHF |
(1) broken-symmetry
Hartree-Fock (2) Brueckner-Hartree-Fock |
| BI |
bond increment
(method in calcns. on large molecules) |
| BJH |
Bopp-Jancso-Heinzinger
(potential function) |
| BK |
Brinkman-Kramers
(approxn. in ion-molecule collision quantum calcn.) |
| BKC |
Born-von Karman
cell (model for electronic-structure calcn.) |
| BKCM |
Burkhardt-Konya-Coulson-March
(for electron momentum densities) |
| BKW |
Bobylev-Krook-Wu
(method for solving the Boltzmann equation for a mol. system) |
| BLB |
Brillouin-Levy-Berthier
(theorem in MO theory) |
| BLCAO |
bilinear combination
of atomic orbitals |
| BLMO |
(1) best limited
basis molecular orbital (2) Boys localized molecular orbital |
| BLYP |
Becke-Lee-Yang-Parr
(density-functional theory) |
| BMMO |
best minimal
molecular orbital |
| BMV |
Berthier-Millie-Veillard
method (semiempirical MO-SCF) |
| BO |
(1) biorthonormal
(wave function) (2) bond orbital (3) Born Oppenheimer (4) Brueckner
orbital (5) bond order |
| BOA |
(1) bidirectional
orbital approximation (in valence bond theory) (2) bond orbital approximation
(3) bond orientational anisotropy (4) Born-Oppenheimer approximation |
| BOARS |
Born-Oppenheimer
angular radial sepn. (in molecular complexes calcns.) |
| BOAW |
bond-order
alternation wave |
| BOC |
bond-order
conservation (model in calcns. on reactions) |
| BOC-MP |
bond order
conservation-Morse potential |
| BOCV |
biorthogonality
constrained variation method |
| BODC |
Born-Oppenheimer
diagonal correction (in molecular calcns.) |
| BOM |
bond orbital
model |
| BOO |
(1) bond order
orbital (2) bond orientational order |
| BORT |
bond orbital
resonance theory |
| BOVB |
biorthogonal
valence bond |
| BOW |
bond-order
wave |
| BPDA |
Born point
dipole approximation |
| BPFT |
Bohm-Pines-Fock-Tani
(hamiltonian in calcns. on plasmons) |
| BQMCT |
basis quantum
monte-carlo theory (for many electron systems) |
| BR |
Barker and
Ridge (model for calculation of ion-molecule capture rates) T. Su
and M.T. Bowers, in Gas Phase Ion Chemistry, edited by M.T.
Bowers, (Academic Press, New York, 1979), Vol. 1, p. 83 |
| BRNO |
best radial
natural orbital |
| BRW |
biased random
walk (model for collisional energy transfer) K.F. Lim and R.G. Gilbert,
J. Chem. Phys., 92, 1819 (1990). |
| BS |
breathing sphere
(approxn. in molecular-scattering calcns.) |
| BSA |
breathing-sphere
approxn. (for inelastic molecular collisions) |
| BSBL |
bond strength-bond
length (model of atom abstraction reaction) |
| BSM |
breathing shell
model |
| BSO |
(1) basic symmetric
operator (in second-quantization calculations) (2)Brueckner spin orbitals |
| BSPT |
Blizzard Santry
perturbation theory |
| BSQ |
boson second
quantization |
| BSSE |
basis-set superposition
error |
| BT |
bonded tableaux |
| BTUGA |
bonded tableau
unitary group approach |
| BWEN |
Brillouin-Wigner
(second-order perturbation theory with) Epstein-Nesbet (energy denominators) |
| BWPT |
Brillouin-Wigner
perturbation theory |
