Error bounds for molecular Hamiltonians inverted from experimental data

J. M. Geremia; Herschel Rabitz

Error bounds for molecular Hamiltonians inverted from experimental data

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Abstract

A laboratory data inversion procedure capable of rigorously treating experimental error is introduced. The most significant feature of this new procedure is that it inverts the full probability distribution of laboratory data. The capabilities of the inversion algorithm are demonstrated by extracting potentials for the X¹Σ_g⁺ and a³Σ_u⁺ states of Na₂ from laboratory data.

Original language	English (US)
Article number	022711
Pages (from-to)	022711/1-022711/11
Journal	Physical Review A - Atomic, Molecular, and Optical Physics
Volume	67
Issue number	2
State	Published - Feb 2003

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics

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title = "Error bounds for molecular Hamiltonians inverted from experimental data",

abstract = "A laboratory data inversion procedure capable of rigorously treating experimental error is introduced. The most significant feature of this new procedure is that it inverts the full probability distribution of laboratory data. The capabilities of the inversion algorithm are demonstrated by extracting potentials for the X1Σg+ and a3Σu+ states of Na2 from laboratory data.",

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Error bounds for molecular Hamiltonians inverted from experimental data

Abstract

All Science Journal Classification (ASJC) codes

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