Ab initio methods for electron-molecule collisions
This review concentrates on the recent advances in treating the electronic aspect of the electron-molecule interaction and leaves to other articles the description of the rotational and vibrational motions. Those methods which give the most complete treatment of the direct, exchange, and correlation effects are focused on. Such full treatments are generally necessary at energies below a few Rydbergs (approx. = 60 eV). This choice unfortunately necessitates omission of those active and vital areas devoted to the development of model potentials and approximate scattering formulations. The ab initio and model approaches complement each other and are both extremely important to the full explication of the electron-scattering process. Due to the rapid developments of recent years, the approaches that provide the fullest treatment are concentrated on. 81 refs.
- Research Organization:
- Los Alamos National Lab., NM (USA)
- DOE Contract Number:
- W-7405-ENG-36
- OSTI ID:
- 6064191
- Report Number(s):
- LA-UR-87-2249; CONF-870715-1; ON: DE87011728
- Country of Publication:
- United States
- Language:
- English
Similar Records
Ab initio calculations of light-ion fusion reactions
Ab Initio Calculations Of Light-Ion Reactions
On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data
Journal Article
·
Sat Oct 20 00:00:00 EDT 2012
· AIP Conference Proceedings
·
OSTI ID:22075648
Ab Initio Calculations Of Light-Ion Reactions
Conference
·
Mon Mar 12 00:00:00 EDT 2012
·
OSTI ID:1037853
On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data
Journal Article
·
Mon Dec 19 19:00:00 EST 2016
· Journal of Chemical Physics
·
OSTI ID:1465365
Related Subjects
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
99 GENERAL AND MISCELLANEOUS
990230 -- Mathematics & Mathematical Models-- (1987-1989)
COLLISIONS
COMPUTER CALCULATIONS
CROSS SECTIONS
DIFFERENTIAL EQUATIONS
EIGENFUNCTIONS
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELECTRONS
ELEMENTARY PARTICLES
ENERGY-LEVEL TRANSITIONS
EQUATIONS
EXCITATION
FERMIONS
FUNCTIONS
LEPTONS
MOLECULE COLLISIONS
PARTIAL DIFFERENTIAL EQUATIONS
SCATTERING
SCHROEDINGER EQUATION
SPHERICAL HARMONICS
WAVE EQUATIONS
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
99 GENERAL AND MISCELLANEOUS
990230 -- Mathematics & Mathematical Models-- (1987-1989)
COLLISIONS
COMPUTER CALCULATIONS
CROSS SECTIONS
DIFFERENTIAL EQUATIONS
EIGENFUNCTIONS
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELECTRONS
ELEMENTARY PARTICLES
ENERGY-LEVEL TRANSITIONS
EQUATIONS
EXCITATION
FERMIONS
FUNCTIONS
LEPTONS
MOLECULE COLLISIONS
PARTIAL DIFFERENTIAL EQUATIONS
SCATTERING
SCHROEDINGER EQUATION
SPHERICAL HARMONICS
WAVE EQUATIONS