An optimized orbital transformation able to reproduce partially prefixed overlaps | Zendy

Gianinetti Ermanno | Zendy; Vandoni Ida | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Premium

An optimized orbital transformation able to reproduce partially prefixed overlaps

Author(s) -

Gianinetti Ermanno,

Vandoni Ida

Publication year - 1992

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560410306

Subject(s) - transformation (genetics) , basis (linear algebra) , set (abstract data type) , distortion (music) , space (punctuation) , function (biology) , combinatorics , mathematics , basis set , basis function , algorithm , physics , computer science , geometry , mathematical analysis , chemistry , quantum mechanics , telecommunications , biology , amplifier , biochemistry , molecule , gene , programming language , operating system , bandwidth (computing) , evolutionary biology

Given a function space spanned by a basis {ƒ i }, we are interested in finding another basis { g i } for which the overlaps ( g i | g i ) assume arbitrarily prefixed values in a subset ℬ of the full set of the pairs of indices ( i , j ). The other overlaps are let free. We show how it is possible to perform this linear transformation ƒ i → g i minimizing the “distortion” J = Σ i ( g i – ƒ i | g i – ƒ i ).

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here

Accelerating Research