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Computational technique atomic orbitals as building blocks of the molecular wave function

4 COMPUTATIONAL TECHNIQUE ATOMIC ORBITALS AS BUILDING BLOCKS OF THE MOLECULAR WAVE FUNCTION [Pg.354]

We have to be careful because the term atomic orbital is used in quantum chemistry with a double meaning. These are (i) orbitals of the mean field for a particular atom, or (ii) functions localized in the space about a given centre. We nearly always use what are known as exponential basis sets J  [Pg.354]

For n = 1, we have what is called the STO - Slater-Type Orbitals, and for n = 2 [Pg.354]


Computational Technique Atomic Orbitals as Building Blocks of the Molecular Wave Function... [Pg.420]

Computational technique atomic orbitals as building blocks of the molecular wave function... [Pg.357]




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A Orbital

A block

A molecular orbital

A* orbitals

Atomic functions

Atomic orbitals computations

Atomic orbitals functions

Atomic orbitals wave functions

Atomic wave functions

Building Techniques

Computations of molecular

Computed technique

Computer techniques

Computer, the

Computing techniques

Function blocks

Functional techniques

Functionalization techniques

Molecular computation

Molecular computer

Molecular functionality

Molecular orbital atomic orbitals

Molecular orbital wave functions

Molecular orbitals atoms

Molecular orbitals functions

Molecular techniques

Molecular wave functions

Orbital a orbitals

Orbital functionals

Orbital, atomic molecular

The Building Blocks

The Orbitals

Wave function orbital

Wave functions orbitals

Waves, The

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