Accession Number:

AD0752875

Title:

The Calculation of Force Constants of a Water Molecule Based on the Simple MO (Molecular Orbital) Method,

Descriptive Note:

Corporate Author:

FOREIGN TECHNOLOGY DIV WRIGHT-PATTERSON AFB OHIO

Personal Author(s):

• Rossikhin,V. V.
• Morozov,V. P.
• Bezzub,L. I.

Report Date:

1972-09-15

Pagination or Media Count:

11.0

Abstract:

The report presents a study of the feasibility of applying a simple molecular orbital method for an estimate of the harmonic and nonharmonic force constants using H2O molecule as an example. In the study, the frequencies of vibrational transitions were important.

Descriptors:

• (*WATER
• *MOLECULAR ORBITALS)
• VIBRATION
• MOLECULAR ENERGY LEVELS
• POTENTIAL ENERGY
• MATRICES(MATHEMATICS)
• WAVE FUNCTIONS
• USSR

Subject Categories:

• Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE