### Abstract

A non-iterative method for calculating frequency-dependent polarizabilities is developed using time-dependent Hartrec-Fock theory. A simple procedure for selecting molecular orbitals and two-electron integrals in this method is proposed and shown to be effective in reducing computational effort.

Original language | English |
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Pages (from-to) | 286-290 |

Number of pages | 5 |

Journal | Chemical Physics Letters |

Volume | 91 |

Issue number | 4 |

DOIs | |

Publication status | Published - Sep 17 1982 |

### ASJC Scopus subject areas

- Physical and Theoretical Chemistry
- Spectroscopy
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces

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## Cite this

Pandey, P. K. K., & Schatz, G. C. (1982). An effective molecular orbital basis selection scheme to calculate resonant frequency-dependent polarizabilities and polarizability derivatives by time-dependent Hartee-Fock theory.

*Chemical Physics Letters*,*91*(4), 286-290. https://doi.org/10.1016/0009-2614(82)80157-7