### Abstract

The Brillouin theorem has been generalized for the coupling strength parameter (a) extended non-relativistic electronic Hamiltonian (H_{∇}+H_{ne}+aH_{ee}). The mathematical case a=0 generates an orto-normalized set of single Slater determinants which can be used as basis set for configuration interactions (CI) calculations for the physical case a=1, removing the known restriction by the original Brillouin theorem and opening a new way to practice.

Original language | English |
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Title of host publication | International Conference on Numerical Analysis and Applied Mathematics, ICNAAM 2018 |

Editors | T.E. Simos, T.E. Simos, T.E. Simos, T.E. Simos, Ch. Tsitouras, T.E. Simos |

Publisher | American Institute of Physics Inc. |

ISBN (Electronic) | 9780735418547 |

DOIs | |

Publication status | Published - Jul 24 2019 |

Event | International Conference on Numerical Analysis and Applied Mathematics 2018, ICNAAM 2018 - Rhodes, Greece Duration: Sep 13 2018 → Sep 18 2018 |

### Publication series

Name | AIP Conference Proceedings |
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Volume | 2116 |

ISSN (Print) | 0094-243X |

ISSN (Electronic) | 1551-7616 |

### Conference

Conference | International Conference on Numerical Analysis and Applied Mathematics 2018, ICNAAM 2018 |
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Country | Greece |

City | Rhodes |

Period | 9/13/18 → 9/18/18 |

### Keywords

- configuration interactions
- coupling strength parameter
- electron-electron repulsion energy participation in ground and excited states
- generalization of Brillouin theorem
- single determinant basis set
- totally non-interacting reference system

### ASJC Scopus subject areas

- Ecology, Evolution, Behavior and Systematics
- Ecology
- Plant Science
- Physics and Astronomy(all)
- Nature and Landscape Conservation

## Fingerprint Dive into the research topics of 'Single determinant basis set for the non-relativistic electronic Schrödinger equation using the coupling strength parameter generalized Brillouin theorem'. Together they form a unique fingerprint.

## Cite this

Kristyán, S. (2019). Single determinant basis set for the non-relativistic electronic Schrödinger equation using the coupling strength parameter generalized Brillouin theorem. In T. E. Simos, T. E. Simos, T. E. Simos, T. E. Simos, C. Tsitouras, & T. E. Simos (Eds.),

*International Conference on Numerical Analysis and Applied Mathematics, ICNAAM 2018*[450061] (AIP Conference Proceedings; Vol. 2116). American Institute of Physics Inc.. https://doi.org/10.1063/1.5114528