E-2PH-TDA |
extended two-particle-hole
Tamm-Dancoff approxn. (Green-function method for ionization-energy
calcns.) |
EAL-MCDF |
extended average
level-(relativistic) multiconfiguration Dirac-Fock |
EAM |
(1) effective
medium approxn. (2) embedded atom method |
EAN |
effective atomic
number (also called "18-electron rule") - P.R. Mitchell
and R.V. Parish, J. Chem. Educ., 46, 811 (1969) |
EB |
extended basis
(set) |
EBA |
(1) Eikonal
Born approxn. (2) exponentiated Born approximation |
EBD |
equilibrium
brownian dynamics |
EBEBO |
extended bond
energy bond order (quantum calcn. method) |
EBIR |
energy based
integral retention (in electronic-structure calcns.) |
EBK |
Einstein-Brillouin-Keller
(quantization method)- (eg) I.C. Percival, Adv. Chem. Phys.,
36, 1 (1977) |
EBO |
equivalent
bond orbital |
EBOM |
effective bond-orbital
method |
EBS |
(1) Eikonal-Born
scattering series method (2) extended basis set |
EBSM |
extended breathing
sphere model |
EBT |
extended Brillouin
theorem |
ECA |
equivalent
core approximation |
ECAMSI |
electron configuration
analysis for many-system interactions |
ECBM |
extended classical
over-barrier model (in calcns. on inelastic ion-atom colisions) |
ECCF |
(1) equilibrium
charge-charge flux (model in IR spectra calcns.) (2) exchange correlated
crystal field |
ECCM |
extended coupled-cluster
method |
ECM |
(1) embedded
cluster method (in electronic-structure calcns.) (2) exchange-charge
model |
ECOP |
electron correlation
polarization (potential) |
ECP |
(1) effective
core potential approxn.(in electronic structure calcn.) (2) exchange
core polarization (3) exponential corrugated potential |
ECP-CPP |
effective core
potential (augmented by)-core polarization potential |
ECPMET |
extended coupled
pair many electron theory |
ECPSSR |
energy-loss
Coulomb-repulsion perturbed-stationary-state relativistic |
ECRR |
energy-corrected
rigid-rotor approximation |
ECS |
energy-corrected
sudden (scaling theory in molecular collisions) |
ECS-EP |
energy-corrected
sudden-exponential polynomial (scaling law) |
ECS-P |
energy-corrected
sudden-polynomial (scaling law) |
ECT |
ergodic collision
theory (for collisional energy transfer) - S. Nordholm, B.C. Freasier,
and D.L. Jolly, Chem. Phys., 25, 433 (1977); B.C. Freasier,
D.L. Jolly, and S. Nordholm, Chem. Phys., 32, 161 (1978) |
ECTFP |
empty-core
Thomas-Fermi pseudopotential |
EDC |
electronic
dynamic coordinates |
EDEC |
equal distances
equal charges model |
EDF |
energy density
functional (theory in electronic-property calcn.) |
EDW |
(1) exchange
distorted-wave (2) exponential distorted wave approximation |
EDWA |
exponential
distorted-wave approxn. (atom-ion electron-exchange calcns.) |
EDWBA |
exponential
distorted wave Born approximation |
EEM |
electronegativity
equalization method |
EESOP |
electronegativity
equalization with s-orbital participation |
EFA |
envelope function
(i.e.,plane-wave) approxn. (in band- structurecalcn.) |
EFG GTO |
electric field
gradient gaussian-type orbital |
EFH |
extended Fenske-Hall
(LCAO MO method) |
EFP |
effective fragment
potential method |
EFV |
electric-field-variant
function (in CI method) |
EFVAO |
electric-field
variant atomic orbital |
EFV GTO |
electric-field-variant
gaussian-type orbital |
EFV STO |
electric-field-variant
Slater-type orbital |
EGCI |
exponentially
generated configuration interaction |
EGL |
exponential
gap law (in rotational energy transfer) - J.C. Polanyi and K.B. Woodall,
J. Chem. Phys., 56, 1563 (1972) |
EGM |
electron gas
model |
EGO |
ellipsoidal
gaussian orbital |
EHB |
extended Hubbard
(hamiltonian) |
EHCO |
extended H�ckel
crystal orbital |
EHF |
extended Hartree-Fock |
EHM |
extended Hubbard
model (hamiltonian) |
EHMO |
extended H�ckel
molecular orbital |
EHP |
electron-hole
potential method |
EHT |
extended H�ckel
theory |
EIA |
Eikonal impulse
approxn. (in ion-atom inelatic collisions) |
EICVOM |
equivalent
ionic core virtual orbital model |
EIMP |
energy independent
model pseudopotential |
EINP |
energy-independent
nonlocal pseudopotential |
EIP |
eigenvalue-independent
partitioning (in coupled-cluster calcns.) |
EIS |
Eikonal initial
state (in scattering calcns.) |
EJS-TST |
an angular-momentum-conserving
variation of EMS-TST - T. D. Sewell, H. W. Schranz, D. L. Thompson,
and L. M. Raff, J. Chem. Phys. 95, 8089 (1991) |
EJZ-TST EJS-TST |
restricted
to ensembles with J=0. |
EK |
extended Koopmans
(method in ionization potential calcns.) |
EKB |
Einstein-Brillouin-Keller
(quantization method) |
EKT |
extended Koopmans
theorem |
ELEPS |
extended London-Eyring-Polyani-Sato
(potential energy surface) |
ELF |
electron localization
function |
ELMO |
energy-localized
molecular orbital |
ELO |
(1) edge localized
orbital (2) equivalent localized orbitals |
EMA |
(1) effective
mass approxn. (for impurity energy levels) (2) effective medium approximation |
EMAP |
energy-modified
adiabatic phase (matrix method) |
EMM |
effective mass
model (used in explaining quantum confinement effects in clusters) |
EMOA |
extended maximum
overlap approximation |
EMP |
(1) electrostatic
molecular potential (for electronic-structure) (2) empirical pseudopotential
method |
EMS |
efficient microcanonical
sampling method - E. S. Severin, B. C. Freasier, N. D. Hamer, D. L.
Jolly, and S. Nordholm, Chem Phys. Lett. 57, 117 (1978) |
EMS-TST |
efficient microcanonical
sampling transition state theory - H.W. Schranz, L.M. Raff, and D.L.
Thompson, J. Chem. Phys., 94, 4219 (1991) |
EMT |
(1) effective
mass theory (in electronic wave functions calcn.) (2) effective-medium
theory (of bonding in metallic systems) |
EMTO |
extended muffin-tin
orbital method |
EMZDO |
exchange modified
zero differential overlap |
ENC |
effective nuclear
charge (model for molecular property calcns.) |
EO |
equivalent
orbital |
EOM |
equations of
motion method |
EOM-CC |
equation of
motion-coupled cluster |
EP |
(1) effective
core potential (2) effective potential (approximation) see also UEFF
[N. Markovic and S. Nordholm Chem. Phys. 135 109 (1989)] |
EPA |
(1) electron
population analysis (2) environment potential approach (in electronic-structure
calcn.) (3) extended pair approxn. (in electronic conductivity calcn.) |
EPCE |
effective pair
correlation energy method |
EPCE-F2(SIGMA) |
effective pair
correlation energy method with the factor-two (F2) approximation for
sigma-electron systems |
EPEN |
empirical potential
(based on interaction of) electrons (and) nuclei |
EPM |
empirical pseudopotential
method |
EPT |
exponential
perturbation theory |
EPV |
exclusion-principle
violating |
ER |
exchange repulsion
(energy) |
ERM |
electron redistribution
model |
ERMM |
effective r-matrix
model (in reactive electron-molecule scattering) |
ERPA |
extended random
phase approximation |
ERT |
effective-range
theory (in molecular calcns.) |
ES |
(1) energy
sudden (approxn. in scattering calcns.) (2) elastic scattering |
ESA |
energy sudden
approxn. (in calcns. on reactive scattering) |
ESE |
exact static-exchange
(approxn. in scattering calcns.) |
ESEDD |
excited state
electron density differential method |
ESE MO |
essential-structure-elements
molecular orbital |
ESEP |
exact static
exchange (plus) polarization (potential) |
ESF |
electrostatic
force (theory for molecular calcns.) |
ESMO |
excited-state
molecular orbital |
ESMSV |
exponential-spline
Morse-spline van der Waals (interatomic potential) |
ESPT |
electron spin
polarization transfer |
ETB |
extended tight-binding
(method for electronic-structure calcns.) |
ETBM |
empirical tight-binding
method (in electronic structure calcn.) |
ETEAO |
even-tempered
exponential atomic orbital |
ETF |
(1) exponential-type
function (an atomic orbital) (2) extended Thomas-Fermi (model) |
ETGAO |
even-tempered
gaussian atomic orbital |
ETO |
(1) elliptical-type
orbital (2) exponential-type orbital |
EVB |
effective valence
bond (hamiltonian) |
EWBA |
Eikonal wave
Born approximation |
EWIA |
Eikonal (distorted)
wave impulse approxn. (f0r scattering ) |
EWMO |
energy weighted
maximum overlap method |
EXGEM |
extended geminal
(model correlated wave function) |
EXGF(1) |
extended group
function(1) (model wave function accounting |
EXPL |
exchange polarization |