### Abstract

A method is given for determining the variable parameters in a trial wave function which is independent of the minimum energy criterion. The energy is given as the root of a secular equation, but the value obtained may be above or below the true value. It is shown that the results of the method approach those of the standard one as the trial function becomes a better approximation to the true one, by applying it to the series of two-electron ions.

Language | English |
---|---|

Pages | 1246-1247 |

Number of pages | 2 |

Journal | The Journal of Chemical Physics |

Volume | 29 |

Issue number | 6 |

Publication status | Published - 1958 |

Externally published | Yes |

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*The Journal of Chemical Physics*,

*29*(6), 1246-1247.

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*The Journal of Chemical Physics*, vol. 29, no. 6, pp. 1246-1247.

**On the approximate calculation of eigenfunctions.** / Gray, B. F.

Research output: Contribution to journal › Article › Research › peer-review

TY - JOUR

T1 - On the approximate calculation of eigenfunctions

AU - Gray, B. F.

PY - 1958

Y1 - 1958

N2 - A method is given for determining the variable parameters in a trial wave function which is independent of the minimum energy criterion. The energy is given as the root of a secular equation, but the value obtained may be above or below the true value. It is shown that the results of the method approach those of the standard one as the trial function becomes a better approximation to the true one, by applying it to the series of two-electron ions.

AB - A method is given for determining the variable parameters in a trial wave function which is independent of the minimum energy criterion. The energy is given as the root of a secular equation, but the value obtained may be above or below the true value. It is shown that the results of the method approach those of the standard one as the trial function becomes a better approximation to the true one, by applying it to the series of two-electron ions.

UR - http://www.scopus.com/inward/record.url?scp=36849116830&partnerID=8YFLogxK

M3 - Article

VL - 29

SP - 1246

EP - 1247

JO - The Journal of Chemical Physics

T2 - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

SN - 0021-9606

IS - 6

ER -