Generalized valence bond

Known as: GVB, Generalized valence bond methods 
The generalized valence bond (GVB) method is one of the simplest and oldest valence bond method that uses flexible orbitals in the general way used… (More)
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2016
2016
Using a graphical presentation of the spin S one-dimensional Valence Bond Solid (VBS) state, based on the representation theory… (More)
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2007
2007
The dioxygen molecule has been the subject of valence bond (VB) studies since 1930s, as it was considered as the first "failure… (More)
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2004
2004
Pelargonium L’Hér. is a largely South African genus well known for its horticultural importance as it contains the parent species… (More)
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1996
1996
The Nose! ± Hoover chain thermostat of Martyna, Klein and Tuckerman has been adapted to work with our generalized valence bond ab… (More)
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1994
1994
We present a greatly improved method for converging generalized valence bond (GVB) self-consistent wave functions. This method… (More)
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1992
1992
We present an ab initio molecular dynamics algorithm at the generalized valence bond level. It does not need a precalculated… (More)
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Highly Cited
1991
Highly Cited
1991
Bond-valence parameters which relate bond valences and bond lengths have been derived for a large number of bonds. It is shown… (More)
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1986
1986
The low-lying electronic states of square and rectangular cyclobutadiene (CBD) are calculated by using the generalized resonating… (More)
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1977
1977
Self-consistentab inltio generalizedvalencebondandconfiguration interactioncalculationsarepresentedfor molecularclustermodelsof… (More)
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1972
1972
Methods of efficiently optimizing the orbitals of generalized valence bond (GVB) wavefunctions are discussed and applied to LiH… (More)
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