| 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 |
