Inverse Schroedinger equation and the exact wave function
Creators
- 1. Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501 (Japan)
Description
Using the inverse of the Hamiltonian, we introduce the inverse Schroedinger equation (ISE) that is equivalent to the ordinary Schroedinger equation (SE). The ISE has the variational principle and the H-square group of equations as the SE has. When we use a positive Hamiltonian, shifting the energy origin, the inverse energy becomes monotonic and we further have the inverse Ritz variational principle and cross-H-square equations. The concepts of the SE and the ISE are combined to generalize the theory for calculating the exact wave function that is a common eigenfunction of the SE and ISE. The Krylov sequence is extended to include the inverse Hamiltonian, and the complete Krylov sequence is introduced. The iterative configuration interaction (ICI) theory is generalized to cover both the SE and ISE concepts and four different computational methods of calculating the exact wave function are presented in both analytical and matrix representations. The exact wave-function theory based on the inverse Hamiltonian can be applied to systems that have singularities in the Hamiltonian. The generalized ICI theory is applied to the hydrogen atom, giving the exact solution without any singularity problem
Additional details
Identifiers
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 65
- Journal Issue
- 5
- Journal Page Range
- p. 052122-052122.15
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36030406
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ATOMS; CONFIGURATION INTERACTION; EIGENFUNCTIONS; EIGENVALUES; EXACT SOLUTIONS; HAMILTONIANS; HYDROGEN; ITERATIVE METHODS; SCHROEDINGER EQUATION; SINGULARITY; VARIATIONAL METHODS; WAVE FUNCTIONS
- Descriptors DEC
- CALCULATION METHODS; DIFFERENTIAL EQUATIONS; ELEMENTS; EQUATIONS; FUNCTIONS; MATHEMATICAL OPERATORS; MATHEMATICAL SOLUTIONS; NONMETALS; PARTIAL DIFFERENTIAL EQUATIONS; QUANTUM OPERATORS; WAVE EQUATIONS
Optional Information
- Notes
- (c) 2002 The American Physical Society