Second-order perturbative corrections to the restricted active space configuration interaction with the hole and particle approach

2014 ◽  
Vol 140 (14) ◽  
pp. 144111 ◽  
Author(s):  
David Casanova
Keyword(s):  
Configuration Interaction ◽  
Second Order ◽  
Active Space ◽  
Perturbative Corrections ◽  
Particle Approach

Superconducting Pairs in Clusters and in the Cu-O Plane

1999 ◽  
Vol 13 (09n10) ◽  
pp. 1195-1200
Author(s):  
Michele Cini ◽  
Adalberto Balzarotti ◽  
Gianluca Stefanucci
Keyword(s):  
Configuration Interaction ◽  
Interaction Mechanism ◽  
Second Order ◽  
Flux Quantization ◽  
Spin Flip ◽  
Full Plane ◽  
Superconducting Pairing ◽  
Exact Diagonalisation

Recently, by exact diagonalisation methods, we reported superconducting pairing and flux quantization in Cu-O Hubbard clusters of up to 21 atoms. The pairing is due to a configuration interaction mechanism driven by symmetry, and arises when the least bound holes have vanishing mutual repulsion ( W =0 pairs). The second-order, spin-flip interaction leads to a net attraction for the singlet and repulsion for the triplet. Here we show that electron bound pairs also exist and show similar flux quantization properties. Then, we extend the theory of pairing to the full plane and to all orders.

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