Geometry optimisation on a hypersphere. Application to finding reaction paths from a conical intersection
- 1 September 1995
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 243 (1-2) , 1-8
- https://doi.org/10.1016/0009-2614(95)00821-k
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Search for stationary points of arbitrary index by augmented Hessian methodInternational Journal of Quantum Chemistry, 1995
- Conical Intersections and the Mechanism of Singlet PhotoreactionsAngewandte Chemie International Edition in English, 1995
- Optimization and characterization of the lowest energy point on a conical intersection using an MC-SCF LagrangianChemical Physics Letters, 1992
- An evaluation of three direct MC-SCF proceduresChemical Physics Letters, 1992
- Potential energy surfaces near intersectionsThe Journal of Chemical Physics, 1991
- Reaction path following in mass-weighted internal coordinatesThe Journal of Physical Chemistry, 1990
- An improved algorithm for reaction path followingThe Journal of Chemical Physics, 1989
- Search for stationary points on surfacesThe Journal of Physical Chemistry, 1985
- Walking on potential energy surfacesThe Journal of Physical Chemistry, 1983
- On finding transition statesThe Journal of Chemical Physics, 1981