Multidimensional potential surfaces from the direct inversion of probability density anti energy spectral data

Authors
Citation
W. Zhu et H. Rabitz, Multidimensional potential surfaces from the direct inversion of probability density anti energy spectral data, J PHYS CH B, 104(46), 2000, pp. 10863-10870
Citations number
22
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
104
Issue
46
Year of publication
2000
Pages
10863 - 10870
Database
ISI
SICI code
1520-6106(20001123)104:46<10863:MPSFTD>2.0.ZU;2-2
Abstract
This paper presents a direct potential surface inversion algorithm for mult idimensional quantum systems based on combining probability density and ene rgy spectral data. The algorithm expresses the potential explicitly in term s of the eigenstate probability density and the associated eigenenergies. S imulations show that the inversion can produce excellent results in the reg ular domain away from the asymptotic unidentifiable regions. The regular in vertible domain of the potential can be adjusted by utilizing suitable spec tral data. The inversion algorithm is successfully simulated to extract the potential surfaces of several one- and two-dimensional model systems.