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Quantum Mechanical Objects in the MO Framework via Elementary Jacobi Rotations

VARIATION OF QUANTUM MECHANICAL OBJECTS IN THE MO FRAMEWORK VIA ELEMENTARY JACOBI ROTATIONS [Pg.380]

The use of EJR as a tool for Quantum Chemical purposes may be based on the simple transformation of a couple of MO [Pg.380]

Let us suppose that Il ,l2 .ln are a set of monoelectronic functions, then choosing an active pair of indices i,j there can be defined an EJR of the MO pair li ,lj as  [Pg.381]

The above transformation can be put as a variation of the MO pair, rewriting simply  [Pg.381]

Practical use of this transformation or variation scheme can be greatly simplified if in the MO framework one redefines the functions and integrals involved as quantum mechanical [Pg.381]


Variation of Quantum Mechanical Objects in the MO framework via Elementary Jacobi Rotations... [Pg.376]




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Elementary Jacobi rotations

Elementary mechanisms

Frameworks mechanics

Jacobi rotation

Jacoby

Quantum mechanical objects, elementary

Quantum mechanics rotational

Quantum object

Quantum rotational

Rotations in

The Framework

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