Singularities of the Born–Oppenheimer exchange amplitude
Journal Article
·
· Journal of Chemical Physics
Born--Oppenheimer amplitude for exchange collisions of electrons by atoms or molecules is found to possess singularities in the complex k0, kf, and K plane, where k0, kf, and K denote the magnitudes of the incoming, outgoing, and momentum change vectors, respectively. The locations of the singularities are investigated using analytic Hartree--Fock wavefunctions as well as correlated wavefunctions for the target, and are found to be related to the asymptotic behavior of the target electron undergoing exchange.
- Research Organization:
- Department of Chemistry, Mellon Institute of Science, Carnegie- Mellon University, Pittsburgh, Pennsylvania 15213
- Sponsoring Organization:
- USDOE
- NSA Number:
- NSA-33-010311
- OSTI ID:
- 4121874
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 9 Vol. 63; ISSN JCPSA6; ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
Similar Records
Study of the Bonham series representation of the Born--Oppenheimer exchange amplitude and the derivation of a local exchange potential
Small-amplitude limit of the nuclear Born-Oppenheimer method
Density-Matrix Based Extended Lagrangian Born–Oppenheimer Molecular Dynamics
Journal Article
·
Wed Nov 30 23:00:00 EST 1977
· J. Chem. Phys.; (United States)
·
OSTI ID:5280607
Small-amplitude limit of the nuclear Born-Oppenheimer method
Journal Article
·
Fri Mar 31 23:00:00 EST 1995
· Physical Review, C (Nuclear Physics); (United States)
·
OSTI ID:6403419
Density-Matrix Based Extended Lagrangian Born–Oppenheimer Molecular Dynamics
Journal Article
·
Sun May 03 20:00:00 EDT 2020
· Journal of Chemical Theory and Computation
·
OSTI ID:1843167