### Abstract

A procedure to correct an existing potential energy surface using experimental spectroscopic data is presented. The current approach uses an inverse perturbation analysis with a least-square fitting and solves linear algebraic equations by singular value decomposition. Application to a two-dimensional Ar-OH potential shows that the current approach is accurate, numerically stable and fast convergent.

Original language | English (US) |
---|---|

Pages (from-to) | 195-200 |

Number of pages | 6 |

Journal | Chemical Physics Letters |

Volume | 252 |

Issue number | 3-4 |

State | Published - Apr 12 1996 |

### Fingerprint

### ASJC Scopus subject areas

- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics

### Cite this

*Chemical Physics Letters*,

*252*(3-4), 195-200.

**Correction of potential energy surface using inverse perturbation and singular value decomposition.** / Wu, Qian; Zhang, John.

Research output: Contribution to journal › Article

*Chemical Physics Letters*, vol. 252, no. 3-4, pp. 195-200.

}

TY - JOUR

T1 - Correction of potential energy surface using inverse perturbation and singular value decomposition

AU - Wu, Qian

AU - Zhang, John

PY - 1996/4/12

Y1 - 1996/4/12

N2 - A procedure to correct an existing potential energy surface using experimental spectroscopic data is presented. The current approach uses an inverse perturbation analysis with a least-square fitting and solves linear algebraic equations by singular value decomposition. Application to a two-dimensional Ar-OH potential shows that the current approach is accurate, numerically stable and fast convergent.

AB - A procedure to correct an existing potential energy surface using experimental spectroscopic data is presented. The current approach uses an inverse perturbation analysis with a least-square fitting and solves linear algebraic equations by singular value decomposition. Application to a two-dimensional Ar-OH potential shows that the current approach is accurate, numerically stable and fast convergent.

UR - http://www.scopus.com/inward/record.url?scp=0030580844&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0030580844&partnerID=8YFLogxK

M3 - Article

VL - 252

SP - 195

EP - 200

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 3-4

ER -