Iterative hypervirial-scaling method for obtaining wave functions and eigenvalues

Journal Article · Fri Sep 01 04:00:00 EDT 1978 · Int. J. Quant. Chem.; (United States)

DOI:https://doi.org/10.1002/qua.560140302· OSTI ID:6203664

Castro, E A

A procedure to improve trial wave functions is given in terms of the off-diagonal hypervirial theorem. This procedure is closely refated to the optimum scaling method which is valid for the diagonal hypervirial theorem. The second excited state of the one-dimensional oscillator model is employed as an example, and improved wave functions and expectation values are calculated. The results are compared with previous values based on the diagonal hypervirial theorem. 19 references.

• Research Organization: Instituto de Investigaciones Fisico Teoricas y Aplicadas, Argentina
• OSTI ID: 6203664
• Journal Information: Int. J. Quant. Chem.; (United States), Journal Name: Int. J. Quant. Chem.; (United States) Vol. 14:3; ISSN IJQCB
• Country of Publication: United States
• Language: English

Related Subjects

657002* -- Theoretical & Mathematical Physics-- Classical & Quantum Mechanics
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
EIGENVALUES
ENERGY LEVELS
EXPECTATION VALUE
FUNCTIONS
INVARIANCE PRINCIPLES
ITERATIVE METHODS
ONE-DIMENSIONAL CALCULATIONS
OSCILLATIONS
SCALE INVARIANCE
VIRIAL THEOREM
WAVE FUNCTIONS