Accurate first-derivative nonadiabatic couplings for the H3 system
- 8 September 2001
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 115 (10) , 4640-4659
- https://doi.org/10.1063/1.1390510
Abstract
No abstract availableKeywords
This publication has 83 references indexed in Scilit:
- Tertiary and general-order collisionsPublished by Elsevier ,2002
- Unusual conical intersections in the Jahn–Teller effect: The electronically excited states of Li3The Journal of Chemical Physics, 1999
- Compensation of the electronic geometric phase by the nuclear part of the wave-functionJournal of Physics: Condensed Matter, 1999
- On the description of potential energy surfaces exhibiting conical intersections: a compact representation of the energies and derivative couplings and locally diabatic bases for the HOH and OHH portions of the 11 A-21 A seam of conical intersection in waterMolecular Physics, 1998
- Energies and derivative couplings in the vicinity of a conical intersection 3. The 'most' diabatic basisMolecular Physics, 1998
- How to observe the elusive resonances in hydrogen atom or deuterium atom + molecular hydrogen .fwdarw. molecular hydrogen or hydrogen deuteride + hydrogen atom reactive scatteringThe Journal of Physical Chemistry, 1991
- Gauge theory and quasidiabatic states in molecular physicsThe Journal of Chemical Physics, 1989
- On the evaluation of nonadiabatic coupling matrix elements using SA-MCSCF/CI wave functions and analytic gradient methods. IThe Journal of Chemical Physics, 1984
- Functional representation of Liu and Siegbahn’s accurate a b i n i t i o potential energy calculations for H+H2The Journal of Chemical Physics, 1978
- Tertiary and general-order collisions (II)Nuclear Physics, 1960