| Q-DAS |
quenched decay
associated spectrum |
| QAFM |
quantum antiferromagnetic
Heisenberg model |
| QAPW |
quadratic augmented
plane wave (in band-structure calcn.) |
| QBCF |
quasiband crystal
field (ab initio SCF method for defects and impurity levels in solids) |
| QBM |
quantal Brownian
motion (model) |
| QBO |
quantitative
basis orbital (an MO or AO) |
| QC |
quasi continuum
, a dense manifold of (rovibrational) quantum states |
| QC-SCF |
quadratically
convergent SCF (for closed-shell systems) |
| QCA |
(1) quasichemical
approxn. (in calcns. on semiconductors) (2) quasicrystalline approximation |
| QCCA |
quasiclassical
close-coupling approximation |
| QCD |
quantum chromodynamics |
| QCE |
quantum confinement
effects (in clusters) |
| QCFF/PI |
quantum mechanical
consistent force field method for pi-electron systems |
| QCI |
quadratic configuration
interaction |
| QCISD |
quadratic configuration
interaction (with) single (and) double (excitations) |
| QCISD(T) |
quadratic configuration
interaction technique including single and double excitations and
correction for triple excitations - J. A. Pople, M. Head-Gordon, and
K. Raghavachari, J. Chem. Phys., 87, 5968 (1987) |
| QCPE |
Quantum Chemistry
Program Exchange - Creative Arts Building 181, 840 Highway 46 Bypass,
Indiana University Bloomington, IN 47405, USA |
| QCT |
quasiclassical
trajectory (method for molecular dynamics) - D.M. Hirst, A Computational
Approach to Chemistry (Blackwells Scientific, Oxford, 1990); M.P.
Allen and D.J. Tildesley, Computer Simulations of Liquids (Oxford
Science Publications, Oxford, 1990) |
| QCT-IEQMT |
quasiclassical
trajectory-internal energy quantum mechanical threshold |
| QD-MBPT |
quasi-degenerate
many-body perturbation theory |
| QDM |
quadrature
discretization method (in electron transport properties calcns.) |
| QDM |
quantum defect
method |
| QDO |
quantum-defect
orbital (theory) |
| QDPT |
quasi-degenerate
perturbation theory |
| QDT |
quantum-defect
theory |
| QDVPT |
quasidegenerate
variational perturbation theory |
| QDWT |
quantum density-wave
theory (in theory of freezing of quantum systems) |
| QEEC |
quasimol. extended
elementary cell (for electronic structure calcns. of crystals) |
| QET |
quasiequilibrium
theory for the calculation of reaction rate coefficients, a variant
of transition state theory (TST) |
| QFD |
quantum fluid
dynamics |
| QFDFT |
quantum-fluid
density-functional theory |
| QFE |
quasifree electron
model |
| QFT |
quantum field
theory |
| QG |
quasigeminals |
| QGLE |
quantum generalized
Langevin equation |
| QHA |
quasi-harmonic
approxn. (in intramol. vibrational relaxation) |
| QIOS |
quantum infinite-order
sudden (method for collisions): see IOSA |
| QISM |
quantum inverse
scattering method |
| QKM |
quadratic Kohn
method (variational method for scattering) |
| QLCPMET |
quasilinearized
coupled-pair-many-electron theory |
| QLDA |
quasilocal
density functional approxn. |
| QLGM |
quantum lattice
gas model (in helium superfluid transition temperature in zeolite
pores) |
| QLSM |
quadratic least-squares
method (variational for scattering) |
| QLUC |
quasimolecular
large unit cell (model for electronic-structure calcns. on solids) |
| QMC |
quantum Monte-Carlo
(theory for many-electron atoms and mols.) - eg. P.J. Reynolds,
D.M. Ceperley, B.J. Adler and W.A. Lester, J. Chem. Phys.,
77, 5593 (1982) |
| QMCRG |
quantum Monte-Carlo
renormalization group (for quantum phase transitions) |
| QMD |
quantum molecular
dynamics (for calcns. on the dynamics of a quantum particle coupled
to a classical many-body system) |
| QMM |
quasimolecular
mechanism (for intermolecular energy transfer). |
| QMO |
quaternionic
molecular orbital method |
| QPEN |
quantum-mechanical
potential (based on interactios of) electrons (and) nuclei |
| QPID |
quadrupole
induced dipole |
| QPLDA |
quasiparticle
local-density approxn. |
| QPM |
quantum Poincare
map |
| QPMDA |
quasiparticle
mean density approxn. (assocd. with local-density theory) |
| QR-MWH |
quasi-relativistic
Mulliken-Wolfsberg-Helmholz method |
| QRF |
quadratic response
function (a quantum propagator) |
| QRHF-CC |
quasirestricted
Hartree-Fock coupled cluster |
| QRIOSA |
quantum reactive
infinite order sudden approxn. |
| QRM |
quadratic Rubinow
method (variational method for scattering) |
| QSAR |
quantitative
structure-activity relationship |
| QSI |
quantum statistical
interference |
| QSM |
(1) quantum
shell model (2) quantum statistical mechanics (3) quantum-statistical
model |
| QSSA |
quasi-steady-state
approximation in kinetics - eg. T. Tur�nyi, A.S. Tomlin, and
M.J. Pilling, J. Phys. Chem., 97, 163 (1993) |
| QSTLS |
quantum Singwi-Tosi-Land-Sjolander
(theory, see also STLS) (for electronic-property calcns. on electron-liquid
models) |
| QTCS |
quantum theorem
of corresponding states |
| QTPT |
quantum thermodynamic
perturbation theory |
| QTST |
quantum transition
state theory |
| QUAPI |
quasiadiabatic
propagator path integral method |
| QUE |
quantized universal
enveloping (algebras in mol. vibrational spectra calcns.) |
| QUPID |
quantum path
integral (molecular) dynamics (method in molecular calcns.) |
| QVB |
quasiempirical
valence bond (method) |
| QVE |
quasivibrational
energy (formalism in multiphoton dissocn.) |
