Finite-difference solution to the Schroedinger equation for the ground state and first-excited state of helium
Description
The Schroedinger equation for S-type states of the helium atom, which is an elliptic partial-differential equation, is converted to a set of finite-difference equations, which are then solved by an iterative technique. The total energy of the ground state and first-excited state are calculated to be -2.90360 and -2.17414 a.u., respectively, as compared to the known accurate values of -2.90372 and -2.17522 a.u. due to Pekeris. The results for the ground state include energy expectation values and expectation values of other terms commonly used to test the correctness of the wave function. Reasonable agreement is obtained between values obtained by this work and that of Pekeris, with the differences being within the known numerical error of the iterative method. 7 tables
Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Computational Physics
- Journal Volume
- 21
- Journal Issue
- 2
- Series
- J. Comput. Phys.
- Journal Page Range
- 197-207
- ISSN
- 0021-9991
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 8341448
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ENERGY; EXCITED STATES; EXPECTATION VALUE; FINITE DIFFERENCE METHOD; GROUND STATES; HELIUM; NUMERICAL SOLUTION; S STATES; SCHROEDINGER EQUATION; SPHERICAL CONFIGURATION; WAVE FUNCTIONS
- Descriptors DEC
- CONFIGURATION; DIFFERENTIAL EQUATIONS; ELEMENTS; ENERGY LEVELS; EQUATIONS; FUNCTIONS; ITERATIVE METHODS; NONMETALS; RARE GASES
Optional Information
- Notes
- Updated automatically by Metadata and Full-Text Enrichment Agent