Premium
Approximate Consideration of the Wave Function Overlapping in the Heitler‐London Theory for a Crystal
Author(s) -
Ledovskaya E. M.,
Petrashen M. I.
Publication year - 1971
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220450238
Subject(s) - orthogonality , symmetry (geometry) , space (punctuation) , limiting , wave function , function (biology) , physics , crystal (programming language) , theoretical physics , halide , quantum mechanics , mathematical physics , mathematics , computer science , geometry , chemistry , engineering , biology , programming language , mechanical engineering , inorganic chemistry , evolutionary biology , operating system
For complex systems, possessing space symmetry and consisting of a large number of subsystems, “the non‐orthogonality paradox” inherent in the Heitler‐London method is practically solved. A method of summing up the permutations in the expressions for energy corrections is developed, basing on the symmetry of the space arrangement of the subsystems and on introducing a limiting distance for subsystem interactions. This method of summing is illustrated on the example of the alkali halide crystal.