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THE SCHRÖDINGER EQUATION IN GENERALIZED (NATURAL) COORDINATES FOR MOLECULES

Abstract

The possibility of using a simplified expression of the kinetic energy operator in generalized coordinates when solving quantum chemical problems for large molecules is shown.

For citations:


Gribov L.A. THE SCHRÖDINGER EQUATION IN GENERALIZED (NATURAL) COORDINATES FOR MOLECULES. Zhurnal Prikladnoii Spektroskopii. 2019;86(4):658-661. (In Russ.)

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ISSN 0514-7506 (Print)