A very accurate grid method for the solution of Schrödinger equations: The helium ground state

✍ Scribed by F. T. Newman

• Publisher: John Wiley and Sons
• Year: 1997
• Tongue: English
• Weight: 188 KB
• Volume: 63
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1997)63:6<1065::aid-qua1>3.0.co;2-v

✦ Synopsis

An extension to the theory of Schrodinger equations has been made ẅhich enables the derivation of eigenvalues from a consideration of a very small part of geometric space. The concomitant unwanted continuum effects have been removed. The theory enables very convergent or ''superconvergent'' calculations. In the case of the helium ground state, E s y2.90372437703411987 E was obtained from 251 terms. The h result is comparable to that from the largest variation calculations so far carried out reinforced by extrapolation techniques. The theory is extensible to atoms and molecules irrespectively of the number of electrons or nuclear centers. In these cases, the advantage of ''superconvergent'' calculations will be more pronounced than in the case of helium.