| L2 |
square
integrable (in mathematics: a class of functions which could be infinite,
but whose squared values have finite integrals), (commonly applied
to wave functions in electron-atom or -mol. collisions) - H.L. Royden,
Real Analysis, 2nd Ed. (MacMillan, New York, 1968) |
| LACO |
linearized
atomic cell orbital (in energy-band calcn.) |
| LA(G) |
least action
ground |
| LAM |
large amplitude
motion |
| LAOM |
localized atomic
orbital method (in electronic structure calcn.) |
| LAPW |
linearized
augmented plane wave (for band-structure calcns.) |
| LASTO |
linear augmented
Slater-type orbital (for electronic structure) |
| LBF |
local basis
function method (for solid state band structure) |
| LBO |
localized Born-Oppenheimer |
| LBW |
Lennard-Jones-Brillouin-Wigner |
| LAM |
large amplitude
motion |
| LC |
large curvature
(tunnelling approximation) |
| LCAO |
linear combination
of atomic orbitals |
| LCAO CO |
linear combination
of atomic orbitals crystal orbital |
| LCAO LSD |
linear combination
of atomic orbitals-local spin density |
| LCAS MS |
linear combination
of atomic spinors-molecular spinors |
| LCBO |
(1) linear
combination of Bloch orbitals (2) linear combination of bonding orbitals |
| LCCA |
linearized
coupled-cluster approach |
| LCCD |
linear coupled-cluster
(method with) double (excitations) |
| LCCM |
linearized
coupled cluster method |
| LCCO |
linear combination
of cellular orbitals |
| LCCSD |
linearized
coupled-cluster (theory with) single (and) double (excitations) (in
molecular potential calcns.) |
| LCCW |
linear combination
of configurational wave functions |
| LCDA MO |
linear combination
of donor-acceptor molecular orbital theory |
| LCDAO |
linear combination
of distorted atomic orbitals |
| LCDO |
linear combination
of diatomic orbitals |
| LCFC |
linear combination
of fragment configuration |
| LCFFUA |
linear combination
of floating functions of united atom |
| LCG |
large curvature
ground state |
| LCGDO |
linear combination
of generalized diatomic orbitals |
| LCGO |
(1) linear
combination of gaussian orbitals (2) linear combination of group orbitals |
| LCGTO |
linear combination
of gaussian type orbitals |
| LCGTO-DF |
linear combination
of gaussian type orbitals-density functional |
| LCGTO-LDF |
linear combination
of gaussian-type orbitals-local density functional |
| LCGTO-LSD-VWN |
linear combination
of gaussian type orbitals-local spin density-Vosko-Wilk-Nusair |
| LCGTO-MCP-LSD
|
linear combination
of gaussian-type orbitals-model core potential-local spin density |
| LCHAO |
linear combination
of hybrid atomic orbitals |
| LCHOP |
linear combination
(of) harmonic oscillator products |
| LCI-CNDO |
limited configuration
interaction-complete neglect of differential overlap |
| LCI-SCSCFMO |
limited configuration
interaction single-configuration SCF MO |
| LCIF |
linear combination
of interacting forces |
| LCLO |
linear combination
of localized orbitals |
| LCM |
lines of centers
model (where only the relative kinetic energy directed along the line
of centres is considered important for reaction i.e., orbital
angular momentum is factored out) |
| LCMBPT |
linked cluster
many body perturbation theory |
| LCMO |
linear combination
of molecular orbitals |
| LCMTO |
linear combination
of muffin-tin orbitals |
| LCMVAO |
linear combination
of modified valence atomic orbital |
| LCOAO |
linear combination
of orthogonal atomic orbitals |
| LCOPW |
linear combination
of orthogonalized plane waves |
| LCP |
local complex
potential (in electron-atom scattering) |
| LCPA |
local coherent
potential approximation |
| LCPH |
localized chemical
pseudopotential hamiltonian |
| L-CPMET |
linearized
coupled-pair many-electron theory |
| LCRA |
linear combination
of Rydberg orbitals |
| LCSPM |
linear combination
of symmetry-adopted products of Morse wave functions |
| LCSPM-HO |
linear combination
of symmetry-adapted products of Morse harmonic oscillator (wave functions) |
| LCTAO |
linear combination
of travelling atomic orbitals |
| LCVO |
linear combination
of valence orbitals |
| LDA |
local density
approximation (in electron-configuration calcns.) - R. G. Parr &
W. Yang, Density-Functional Theory of Atoms and Molecules,
(OUP, 1989) |
| LDF |
local density
functional |
| LDGUGA |
loop-driven
graphical unitary-group approach (in MC-SCF calcns.) |
| LDO |
locked dipole
approximation (in calculations of ion-molecule collision 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 |
| LDOS |
local density
of states |
| LDPO |
linearly driven
parametric oscillator (model in energy transfer calcns. in mol. collisions) |
| LDQ |
Linnett double
quartet (theory of valency) - J.W. Linnett, The Electronic Structure
of Molecules, (Methuen 1964) |
| LEDO |
limited expansion
of diatomic overlap |
| LEES |
local excess-electron
state (a molecular-crystal wave function) |
| LEMAO |
least energy
minimal atomic orbital |
| LEMO |
lowest empty
molecular orbital (equivalent to LUMO) |
| LEP |
local electron
pair (model for intra- & intermolecular interactions) |
| LEPS |
London, Eyring,
Polanyi and Sato (potential-energy surface) (originally for H + H2)
- S. Sato, J. Chem. Phys., 23, 592, 2465 (1965) |
| LEPS+IDI |
London-Eyring-Polanyi-Sato
+ ion dipole induced [potential] |
| LFCC |
laboratory-frame
close-coupling (for electron-molecule scattering) |
| LFER |
linear free
energy relationships |
| LFHO |
linearly forced
harmonic oscillator |
| LFMO |
ligand field
method combined with linear combination of atomic orbitals-molecular
orbital method |
| LGM |
linearized
Green-function method (for electronic-structure) |
| LHL |
light-heavy-light
(triatomic reaction system where a heavy atom is transfered: LH +
L � L + HL) |
| LHM |
Longuet-Higgins-Murrell
approximation |
| LHP-RHF |
Longuet-Higgins-Pople
restricted Hartree-Fock method |
| LHSF |
local hyperspherical
surface functions (in quantum calcns. on reactive scattering) |
| LI |
localization
index |
| LJ |
Lennard-Jones
(potential) V = Ar–n + Br–m |
| LKKR |
layer Korringa-Kohn-Rostoker
(in interface electronic structures) |
| LMO |
(1) localized
molecular orbital (2) localized molecular spin orbital |
| LMTO |
linear combination
of muffin-tin orbitals (see also LCMTO which is the preferred acronym) |
| LNDO |
local neglect
of differential overlap |
| LNO |
(1) localized
natural orbital (2) localized natural spin orbital |
| LO |
localized orbital |
| LOCADB |
line-of-centers
angle - dependent - barrier model |
| LOCV |
lowest-order
constrained variation |
| LOGMO |
lowest occupied
gaussian molecular orbital |
| LOMO |
lowest occupied
molecular orbital |
| LOPT |
large-order
perturbation theory |
| LORG |
localized orbital/local
origin - A. E. Hansen andT. D. Bouman, J. Chem. Phys., 82,
5035 (1985) |
| LOVA |
lowest-order
variational approxn. (for electron-phonon interactions in metals) |
| LPA |
(1) linearized
propagator approximation (2) local plasma approxn. (in calcns. of
stopping powers for ions by films) (3) L�wdin population analysis |
| LPD |
large phonon
displacement (state) - Ning Lu and S. Mukamel, J. Chem. Phys.
95, 1588 (1991) |
| LPUMP |
l-fold (spin)
projected unrestricted M�ller-Plesset |
| LRCI |
low-rank configuration
interaction |
| LR-SCF |
low-rank SCF |
| LSA |
(1) linear
superposition approximation (2) local space approximation |
| LSD(A) |
local spin
density (approxn.) (in electronic structure calcn.) - V. von Barth
and L. Hedin, J. Phys. C, 5, 1629 (1972) |
| LSDC |
local spin
density correlation (functional) |
| LSDF |
local spin
density functional |
| LSD-GX |
local spin
density functional-generalized exchange |
| LSD-GX-CSEP
LSD-GX |
with correction
of statistical exchange potential |
| LSD-GX-SIC
LSD-GX |
with generalized
exchange-self-interaction corrected |
| LSDSIC |
local-spin-density
self-interaction-correction approxn. (in total energy calcns. for
atoms) |
| LSDX |
local-spin-density
(with exact) exchange |
| LSDXC |
local-spin-density-exchange-correlation
(for molecular property) |
| LSDXS |
local-spin-density
(with) screened exchange |
| LSDXS-SIC |
local-spin-density
(with) screened exchange (and) self-interaction correction |
| LSTH |
Liu-Siegbahn-Truhlar-Horowitz
(potential-energy surface) |
| LSW |
localized spherical
wave (in electronic structure calcns.) |
| LT |
(1) Landau-Teller
(form or plot for temperature dependence of rate constants) (2) Landau-Teller
(model for vibrational energy transfer) - J.T. Yardley, Introduction
to Molecular Energy Transfer (Academic Press, London, 1980) (3)
Landau-Teller (potential for atom+diatom collisions) |
| LTH |
linearized
time-dependent Hartree (approxn., in calcn. of electronic properties
of solids) |
| LTO |
Laguerre-type
orbital (an AO) |
| LUC |
large unit
cell semiempirical approxn. (for band structure) |
| LUCO |
lowest unoccupied
crystal orbital |
| LUMO |
lowest unoccupied
molecular orbital |
| LVM-ST |
least-squares
variational method (involving only) square-integrable (test functions)
(for wave functions in scattering) |
| LZ |
Landau-Zener
(model for probability of hopping from one electronic surface to another
at an avoided crossing) - eg, H. Eyring, J. Walter and E.W.
Kimball, Quantum Chemistry (Wiley, New York, 1944) pp. 326–330 |
