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The quantum form of the reaction path Hamiltonian.
- Source :
- Molecular Physics; Jul2015, Vol. 113 Issue 13/14, p1600-1607, 8p
- Publication Year :
- 2015
-
Abstract
- An examination is made of the way in which the kinetic energy operator for internal motion alone is commonly constructed in molecular quantum mechanics. It is shown that some care needs to be taken to specify the precise conditions under which the form of the operator so obtained is a valid form. Particular care is needed in constructing a reaction path Hamiltonian. [ABSTRACT FROM PUBLISHER]
Details
- Language :
- English
- ISSN :
- 00268976
- Volume :
- 113
- Issue :
- 13/14
- Database :
- Complementary Index
- Journal :
- Molecular Physics
- Publication Type :
- Academic Journal
- Accession number :
- 108329807
- Full Text :
- https://doi.org/10.1080/00268976.2014.999839