Matches in SemOpenAlex for { <https://semopenalex.org/work/W2012370064> ?p ?o ?g. }
- W2012370064 endingPage "3520" @default.
- W2012370064 startingPage "3500" @default.
- W2012370064 abstract "We describe a simple approach for constructing the molecular Hamiltonian which is ideal for studying large molecular systems in which many constraints are imposed. The present procedure allows one to evaluate the correct classical G matrix for highly constrained model systems in the absence of total angular momentum, using matrices that are no larger than the number of active vibrations in the model. A straightforward prescription for constructing the appropriate quantum kinetic energy operator for these systems is then introduced. This prescription is a modification of the Podolsky procedure and it allows one to incorporate constraints in the quantum operators without the extensive use of differential calculus. Finally, the extension of the constrained system Hamiltonian to nonzero total angular momentum is made and methods for reducing the effective Hamiltonian to the minimum number of degrees of freedom using the Augustin–Miller canonical transformation are described. The present approach is illustrated with several molecular examples including arbitrary bent equilibrium triatomic molecules, weakly bound van der Waals complexes, and large molecules with low frequency, large amplitude vibrations." @default.
- W2012370064 created "2016-06-24" @default.
- W2012370064 creator A5034969239 @default.
- W2012370064 creator A5035790798 @default.
- W2012370064 date "1992-09-01" @default.
- W2012370064 modified "2023-10-16" @default.
- W2012370064 title "Molecular Hamiltonians for highly constrained model systems" @default.
- W2012370064 cites W1578019195 @default.
- W2012370064 cites W1965775376 @default.
- W2012370064 cites W1966557382 @default.
- W2012370064 cites W1966741171 @default.
- W2012370064 cites W1968650512 @default.
- W2012370064 cites W1968921161 @default.
- W2012370064 cites W1972760705 @default.
- W2012370064 cites W1974967667 @default.
- W2012370064 cites W1977138440 @default.
- W2012370064 cites W1983613487 @default.
- W2012370064 cites W1989014228 @default.
- W2012370064 cites W1991031176 @default.
- W2012370064 cites W1992273076 @default.
- W2012370064 cites W1994249704 @default.
- W2012370064 cites W1996684059 @default.
- W2012370064 cites W2002653793 @default.
- W2012370064 cites W2002902681 @default.
- W2012370064 cites W2004334766 @default.
- W2012370064 cites W2004350957 @default.
- W2012370064 cites W2004729117 @default.
- W2012370064 cites W2005319895 @default.
- W2012370064 cites W2006869700 @default.
- W2012370064 cites W2010799271 @default.
- W2012370064 cites W2011088835 @default.
- W2012370064 cites W2012311990 @default.
- W2012370064 cites W2013315419 @default.
- W2012370064 cites W2016616811 @default.
- W2012370064 cites W2022222593 @default.
- W2012370064 cites W2022285976 @default.
- W2012370064 cites W2023480901 @default.
- W2012370064 cites W2025248785 @default.
- W2012370064 cites W2026496857 @default.
- W2012370064 cites W2029073356 @default.
- W2012370064 cites W2029563779 @default.
- W2012370064 cites W2031796618 @default.
- W2012370064 cites W2032730785 @default.
- W2012370064 cites W2036573615 @default.
- W2012370064 cites W2036741276 @default.
- W2012370064 cites W2037218172 @default.
- W2012370064 cites W2038414099 @default.
- W2012370064 cites W2044759980 @default.
- W2012370064 cites W2048812406 @default.
- W2012370064 cites W2050996021 @default.
- W2012370064 cites W2053251371 @default.
- W2012370064 cites W2055400384 @default.
- W2012370064 cites W2062377732 @default.
- W2012370064 cites W2063133760 @default.
- W2012370064 cites W2068940653 @default.
- W2012370064 cites W2070089774 @default.
- W2012370064 cites W2070708672 @default.
- W2012370064 cites W2071886761 @default.
- W2012370064 cites W2074692780 @default.
- W2012370064 cites W2076190758 @default.
- W2012370064 cites W2076371206 @default.
- W2012370064 cites W2076810000 @default.
- W2012370064 cites W2077393815 @default.
- W2012370064 cites W2082065912 @default.
- W2012370064 cites W2089483071 @default.
- W2012370064 cites W2090179472 @default.
- W2012370064 cites W2095062899 @default.
- W2012370064 cites W2097097680 @default.
- W2012370064 cites W2137052116 @default.
- W2012370064 cites W2237659999 @default.
- W2012370064 cites W2341318472 @default.
- W2012370064 cites W2394947684 @default.
- W2012370064 cites W2950221049 @default.
- W2012370064 cites W2950713969 @default.
- W2012370064 cites W2950831242 @default.
- W2012370064 doi "https://doi.org/10.1063/1.462985" @default.
- W2012370064 hasPublicationYear "1992" @default.
- W2012370064 type Work @default.
- W2012370064 sameAs 2012370064 @default.
- W2012370064 citedByCount "53" @default.
- W2012370064 countsByYear W20123700642012 @default.
- W2012370064 countsByYear W20123700642013 @default.
- W2012370064 countsByYear W20123700642016 @default.
- W2012370064 countsByYear W20123700642019 @default.
- W2012370064 countsByYear W20123700642020 @default.
- W2012370064 crossrefType "journal-article" @default.
- W2012370064 hasAuthorship W2012370064A5034969239 @default.
- W2012370064 hasAuthorship W2012370064A5035790798 @default.
- W2012370064 hasConcept C104317684 @default.
- W2012370064 hasConcept C121332964 @default.
- W2012370064 hasConcept C121770821 @default.
- W2012370064 hasConcept C126061179 @default.
- W2012370064 hasConcept C126255220 @default.
- W2012370064 hasConcept C130787639 @default.
- W2012370064 hasConcept C155675718 @default.
- W2012370064 hasConcept C158448853 @default.
- W2012370064 hasConcept C17020691 @default.
- W2012370064 hasConcept C185592680 @default.