Incorrect Dissociation Behavior of Radical Ions in Density Functional Calculations
- 1 October 1997
- journal article
- letter
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 101 (43) , 7923-7925
- https://doi.org/10.1021/jp972378y
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- A fifth-order perturbation comparison of electron correlation theoriesPublished by Elsevier ,2001
- The C4H4•+ Potential Energy Surface. 3. The Reaction of Acetylene with Its Radical CationThe Journal of Physical Chemistry A, 1997
- The C8H8 Radical Cations of Cyclooctatetraene, Semibullvalene, and Their Common Bisallylic Rearrangement Product: Electronic Structure and Potential Energy SurfacesJournal of the American Chemical Society, 1995
- Microwave electronic spectrum of the He+2 ionThe Journal of Chemical Physics, 1995
- Density-functional thermochemistry. III. The role of exact exchangeThe Journal of Chemical Physics, 1993
- Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argonThe Journal of Chemical Physics, 1993
- Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A, 1988
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B, 1988