### Abstract

The use of the FORTRAN function ATAN2, or an equivalent prescriptin, is shown to simplify the choice of the angle required to effect the transformation of a pair of molecular orbitals into a more localised pair and thus to expidite convergence of the localisation process. © 1979.

Original language | English |
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Pages (from-to) | 199-202 |

Number of pages | 4 |

Journal | Chemical Physics Letters |

Volume | 68 |

Issue number | 1 |

Publication status | Published - 1 Dec 1979 |

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### Cite this

*Chemical Physics Letters*,

*68*(1), 199-202.

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*Chemical Physics Letters*, vol. 68, no. 1, pp. 199-202.

**The selection of angles for effecting transformations of orbital pairs in localisation processes.** / Hunter, J. A.

Research output: Contribution to journal › Article

TY - JOUR

T1 - The selection of angles for effecting transformations of orbital pairs in localisation processes

AU - Hunter, J. A.

PY - 1979/12/1

Y1 - 1979/12/1

N2 - The use of the FORTRAN function ATAN2, or an equivalent prescriptin, is shown to simplify the choice of the angle required to effect the transformation of a pair of molecular orbitals into a more localised pair and thus to expidite convergence of the localisation process. © 1979.

AB - The use of the FORTRAN function ATAN2, or an equivalent prescriptin, is shown to simplify the choice of the angle required to effect the transformation of a pair of molecular orbitals into a more localised pair and thus to expidite convergence of the localisation process. © 1979.

M3 - Article

VL - 68

SP - 199

EP - 202

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 1

ER -