### Abstract

A method is developed for treating the error in the energy of a variation function as a perturbation, the variation function serving to describe the "unperturbed state." An effective potential is defined from the variation function, and comparison of this with the correct potential for the helium atom gives useful information about the behavior of the variation functions as the electronic separation approaches zero. In the second section, iterative methods of improving a variational wave function without increasing the number of parameters are discussed and the conditions under which they will be applicable are examined.

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

Pages | 272-275 |

Number of pages | 4 |

Journal | The Journal of Chemical Physics |

Volume | 29 |

Issue number | 2 |

Publication status | Published - 1958 |

Externally published | Yes |

### Fingerprint

### Cite this

*The Journal of Chemical Physics*,

*29*(2), 272-275.

}

*The Journal of Chemical Physics*, vol. 29, no. 2, pp. 272-275.

**On the approximate calculation of eigenvalues with special reference to the helium atom.** / Gray, B. F.

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

TY - JOUR

T1 - On the approximate calculation of eigenvalues with special reference to the helium atom

AU - Gray, B. F.

PY - 1958

Y1 - 1958

N2 - A method is developed for treating the error in the energy of a variation function as a perturbation, the variation function serving to describe the "unperturbed state." An effective potential is defined from the variation function, and comparison of this with the correct potential for the helium atom gives useful information about the behavior of the variation functions as the electronic separation approaches zero. In the second section, iterative methods of improving a variational wave function without increasing the number of parameters are discussed and the conditions under which they will be applicable are examined.

AB - A method is developed for treating the error in the energy of a variation function as a perturbation, the variation function serving to describe the "unperturbed state." An effective potential is defined from the variation function, and comparison of this with the correct potential for the helium atom gives useful information about the behavior of the variation functions as the electronic separation approaches zero. In the second section, iterative methods of improving a variational wave function without increasing the number of parameters are discussed and the conditions under which they will be applicable are examined.

UR - http://www.scopus.com/inward/record.url?scp=36849137766&partnerID=8YFLogxK

M3 - Article

VL - 29

SP - 272

EP - 275

JO - The Journal of Chemical Physics

T2 - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

SN - 0021-9606

IS - 2

ER -