Valence bond programs
Valence bond (VB) computer programs for modern valence bond calculations:-
* CRUNCH, by Gordon A. Gallup and his group.
* GAMESS (UK), includes calculation of VB wave functions by the TURTLE code, due to J.H. van Lenthe.
* GAMESS (US), has links to interface VB2000, and XMVB.
* MOLPRO and MOLCAS include code by David L. Cooper for generating Spin Coupled VB wave functions from CASSCF calculations.
* VB2000 version 2.7 (released, 2014), by Jiabo Li, Brian Duke and Roy McWeeny allows the use of Group Function theory, whereby different groups can be handled by different methods (VB or Hartree–Fock). Many types of VB, including spin-coupled VB, and CASVB calculations are possible. It is part of the GAMESS (US) release and can be compiled into the GAMESS(US) executable. There is a more lim
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Valence bond programs
Valence bond (VB) computer programs for modern valence bond calculations:-
* CRUNCH, by Gordon A. Gallup and his group.
* GAMESS (UK), includes calculation of VB wave functions by the TURTLE code, due to J.H. van Lenthe.
* GAMESS (US), has links to interface VB2000, and XMVB.
* MOLPRO and MOLCAS include code by David L. Cooper for generating Spin Coupled VB wave functions from CASSCF calculations.
* VB2000 version 2.7 (released, 2014), by Jiabo Li, Brian Duke and Roy McWeeny allows the use of Group Function theory, whereby different groups can be handled by different methods (VB or Hartree–Fock). Many types of VB, including spin-coupled VB, and CASVB calculations are possible. It is part of the GAMESS (US) release and can be compiled into the GAMESS(US) executable. There is a more lim
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Valence bond (VB) computer pro ...... e VB2000 interface or with it.
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Valence bond (VB) computer pro ...... xecutable. There is a more lim
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Valence bond programs
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