Self-consistent field equations in a two-dimensional model of high-temperature superconductivity with strong carrier correlation

1989 ◽  
Vol 81 (1) ◽  
pp. 1113-1119
Author(s):  
Nguyen Van Hieu ◽  
Nguyen Toan Thang ◽  
Ha Vinh Tan
Keyword(s):  
High Temperature ◽  
High Temperature Superconductivity ◽  
Two Dimensional ◽  
Dimensional Model ◽  
Field Equations ◽  
Consistent Field ◽  
Self Consistent ◽  
Two Dimensional Model ◽  
Self Consistent Field

CALCULATIONS OF THE MEAN SQUARE RELATIVE ATOMIC DISPLACEMENTS IN A SIMPLE MODEL OF AN ANHARMONIC CRYSTAL

1995 ◽  
Vol 09 (23) ◽  
pp. 1513-1519
Author(s):  
M. F. PASCUAL ◽  
V. I. ZUBOV
Keyword(s):  
Square Lattice ◽  
Mean Square ◽  
Two Dimensional ◽  
Dimensional Model ◽  
Anharmonic Crystal ◽  
Atomic Displacements ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
The Mean

We have used the correlative method of unsymmetrized self-consistent field to calculate the mean square relative displacements (MSRD) of atoms in the two-dimensional model of the anharmonic crystal with square lattice. The longitudinal and transversal components of MSRD between the nearest, second, third and next neighbors have been computed. An influence of the anharmonicity on various components as well as peculiarities of the lattice considered are discussed.

Ab initio molecular orbital calculations of the ground and excited states of the permanganate and chromate ions

1970 ◽  
Vol 320 (1541) ◽  
pp. 161-173 ◽  
Keyword(s):  
Molecular Orbital ◽  
Excited States ◽  
Slater Type Orbitals ◽  
Molecular Orbital Calculations ◽  
Field Equations ◽  
Chromate Ions ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
State Wavefunctions

The bonding in the permanganate and chromate ions is described by means of self-consistent field molecular orbital calculations employing a basis of Slater type orbitals expanded in Gaussian type functions. A new procedure for the solution of the self-consistent field equations is described and applied to the ions studied here. Excited state wavefunctions are calculated using configuration interaction considering all singly excited configurations involving all virtual and valence orbitals. The calculated transition energies and transition moments are compared with those from the experimental electronic spectra.

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