Test of the Bardeen-Cooper-Schrieffer and the resonant-valence-bond wave functions as solutions of the Hubbard model: A small-cluster calculation

1993 ◽  
Vol 47 (21) ◽  
pp. 14407-14412 ◽  
Author(s):  
L. M. Falicov ◽  
C. R. Proetto
Keyword(s):  
Hubbard Model ◽  
Valence Bond ◽  
Wave Functions ◽  
Small Cluster ◽  
Cluster Calculation

From one-electron to correlated wave functions in extended systems: A valence-bond investigation

1989 ◽  
Vol 39 (7) ◽  
pp. 3274-3288 ◽  
Author(s):  
Marie-Bernadette Lepetit ◽  
Brahim Oujia ◽  
Jean-Paul Malrieu ◽  
Daniel Maynau
Keyword(s):  
Valence Bond ◽  
Wave Functions ◽  
Extended Systems

scholarly journals Resonating Valence Bond Wave Functions for Strongly Frustrated Spin Systems

2001 ◽  
Vol 87 (9) ◽  
Author(s):  
Luca Capriotti ◽  
Federico Becca ◽  
Alberto Parola ◽  
Sandro Sorella
Keyword(s):  
Valence Bond ◽  
Spin Systems ◽  
Wave Functions ◽  
Resonating Valence Bond ◽  
Frustrated Spin

Class of variational singlet wave functions for the Hubbard model away from half filling

1989 ◽  
Vol 40 (13) ◽  
pp. 8939-8944 ◽  
Author(s):  
P. W. Anderson ◽  
B. S. Shastry ◽  
D. Hristopulos
Keyword(s):  
Hubbard Model ◽  
Wave Functions ◽  
Half Filling

Valence-bond studies of 4-electron 3-centre bonding units. I. The π-electrons of O3, NO2−, and CH2N2

1978 ◽  
Vol 56 (8) ◽  
pp. 1093-1101 ◽  
Author(s):  
Richard D. Harcourt ◽  
Walter Roso
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Valence Bond ◽  
Ground States ◽  
Wave Functions ◽  
Dipolar Cycloaddition ◽  
Cycloaddition Reactions ◽  
Electronic Mechanism ◽  
Increased Valence

Some ab-initio valence-bond wave-functions are reported for the π-electrons of the ground-states of O3, NO2−, and CH2N2. Examination of these wave-functions provides further support for the hypothesis that, for the ground-states of many electron-excess molecules, important valence-bond structures are those that are compatible with the electroneutrality principle, i.e. they carry either small or zero formal charges on each of the atoms. For O3 and CH2N2, the important valence-bond structures with zero atomic formal charges are [Formula: see text]Each of these structures has a 'long-bond' between non-adjacent atoms. The significance of 'long-bond' (or spin-paired diradical) structures for the electronic mechanism of 1,3-dipolar cycloaddition reactions is discussed and 'increased-valence' descriptions of the electronic structure of each molecule are presented. Some comments on the utility of 'increased-valence' structures are provided.

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