Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Expressions for the Energy and its Derivatives

The wavefunction consists of a linear combination of structures, which themselves are spin-adapted linear combinations of determinants  [Pg.82]

The overlap is obtained by expanding along an arbitrary column (k)  [Pg.82]

This is of course the familiar expression from orthogonal MO theories. The complexity due to the non-orthogonality is now hidden in the cofactors in the reduced density matrices. [Pg.83]


See other pages where Expressions for the Energy and its Derivatives is mentioned: [Pg.82]   


SEARCH



And its derivatives

Derivative, energy

Energy expression

Energy expressions for

Expression for

It energy

The Energy Expression

© 2024 chempedia.info