Analysis of exchange energy at long range for states of alkali diatomic molecules correlating to two ground state atoms

1999 ◽  
Vol 111 (11) ◽  
pp. 4962-4965 ◽  
Author(s):  
Warren T. Zemke ◽  
William C. Stwalley
Keyword(s):  
Long Range ◽  
Ground State ◽  
Diatomic Molecules ◽  
Exchange Energy ◽  
Alkali Diatomic Molecules

Exchange Energy on Alkali Diatomic Molecules: Period Effects

1997 ◽  
Vol 185 (1) ◽  
pp. 110-114 ◽  
Author(s):  
C.E. Fellows ◽  
R.F. Gutterres ◽  
P.S. Rocha ◽  
C.E. Leal
Keyword(s):  
Diatomic Molecules ◽  
Exchange Energy ◽  
Period Effects ◽  
Alkali Diatomic Molecules

LONG RANGE FORCES BETWEEN HYDROGEN MOLECULES

1955 ◽  
Vol 33 (11) ◽  
pp. 668-678 ◽  
Author(s):  
F. R. Britton ◽  
D. T. W. Bean
Keyword(s):  
Wave Function ◽  
Long Range ◽  
Ground State ◽  
Close Agreement ◽  
Van Der Waals ◽  
Wave Functions ◽  
Numerical Factor ◽  
Hydrogen Molecules ◽  
Static Quadrupole

Long range forces between two hydrogen molecules are calculated by using methods developed by Massey and Buckingham. Several terms omitted by them and a corrected numerical factor greatly change results for the van der Waals energy but do not affect their results for the static quadrupole–quadrupole energy. By using seven approximate ground state H2 wave functions information is obtained regarding the dependence of the van der Waals energy on the choice of wave function. The value of this energy averaged over all orientations of the molecular axes is found to be approximately −11.0 R−6 atomic units, a result in close agreement with semiempirical values.

scholarly journals Off-Diagonal Long-Range Order in Generalized Hubbard Models

1997 ◽  
Vol 11 (11) ◽  
pp. 1311-1335 ◽  
Author(s):  
Kristel Michielsen ◽  
Hans De Raedt
Keyword(s):  
Density Matrix ◽  
Hubbard Model ◽  
Long Range ◽  
Ground State ◽  
Size Dependence ◽  
State Energy ◽  
System Size ◽  
Range Order ◽  
Long Range Order ◽  
Hubbard Models

We present stochastic diagonalization results for the ground-state energy and the largest eigenvalue of the two-fermion density matrix of the BCS reduced Hamiltonian, the Hubbard model, and the Hubbard model with correlated hopping. The system-size dependence of this eigenvalue is used to study the existence of Off-Diagonal Long-Range Order in these models. We show that the model with correlated hopping and repulsive on-site interaction can exhibit Off-Diagonal Long-Range Order. Analytical results for some special limiting cases indicate that Off-Diagonal Long-Range Order not always implies superconductivity.

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