### Abstract

Using a new Monte Carlo method for computing properties of excited quantum states, correlation function quantum Monte Carlo, we calculate the lowest ten vibrational excited state energies of H_{2}O and H_{2}CO in the Born-Oppenheimer approximation. The statistical errors for H_{2}O are 0.1 cm^{-1} for the ground state and 15 cm^{-1} for the tenth excited state while for H_{2}CO they are 2 cm^{-1} for the ground state and 30 cm^{-1} for the eighth excited state. The algorithm presented here is easily extensible to larger systems.

Original language | English (US) |
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Pages (from-to) | 552-561 |

Number of pages | 10 |

Journal | The Journal of Chemical Physics |

Volume | 93 |

Issue number | 1 |

DOIs | |

State | Published - Jan 1 1990 |

### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry

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## Cite this

Bernu, B., Ceperley, D. M., & Lester, W. A. (1990). The calculation of excited states with quantum Monte Carlo. II. Vibrational excited states.

*The Journal of Chemical Physics*,*93*(1), 552-561. https://doi.org/10.1063/1.459555