Identification of born-oppenheimer potential energy surfaces of diatomic molecules from optimized chirped pulses

Bjarne Amstrup; Gábor J. Tóth; Herschel Rabitz; András Lőrincz

doi:10.1016/0301-0104(95)00344-2

Identification of born-oppenheimer potential energy surfaces of diatomic molecules from optimized chirped pulses

Bjarne Amstrup, Gábor J. Tóth, Herschel Rabitz, András Lőrincz

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

The optimal control of molecules has been widely studied in recent years. In this paper we explore the feasibility of applying adaptive feedback optimal control to determine Born-Oppenheimer (BO) surfaces. If the molecular wave packet is well localized, laser pulses optimized to transfer population between two surfaces contain information on the potential energy difference in the region scanned by the wave packet in the duration of the pulse. By iterating the experiment with the different values of the nuclear separation large regions of the unknown BO surface can be measured if one of the surfaces is known. The method is simulated with a model experiment on CsI. The results show that the BO surface can be determined with reasonable accuracy. Some limitations and possible extensions of the method are discussed.

Original language	English (US)
Pages (from-to)	95-105
Number of pages	11
Journal	Chemical Physics
Volume	201
Issue number	1
DOIs	https://doi.org/10.1016/0301-0104(95)00344-2
State	Published - Dec 1 1995

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1016/0301-0104(95)00344-2

Cite this

@article{91e3d72fe9ad4cecaa04ab51c195049e,

title = "Identification of born-oppenheimer potential energy surfaces of diatomic molecules from optimized chirped pulses",

abstract = "The optimal control of molecules has been widely studied in recent years. In this paper we explore the feasibility of applying adaptive feedback optimal control to determine Born-Oppenheimer (BO) surfaces. If the molecular wave packet is well localized, laser pulses optimized to transfer population between two surfaces contain information on the potential energy difference in the region scanned by the wave packet in the duration of the pulse. By iterating the experiment with the different values of the nuclear separation large regions of the unknown BO surface can be measured if one of the surfaces is known. The method is simulated with a model experiment on CsI. The results show that the BO surface can be determined with reasonable accuracy. Some limitations and possible extensions of the method are discussed.",

author = "Bjarne Amstrup and T{\'o}th, {G{\'a}bor J.} and Herschel Rabitz and Andr{\'a}s L{\H o}rincz",

note = "Funding Information: Part of this work was supported by The Danish Natural Research Science Council, the OTKA Grant of the Hungarian Academy of Science (OTKA 1890/1991), the US-Hungarian Joint Fund Grant (#168a) and the Office of Naval Research.",

year = "1995",

month = dec,

day = "1",

doi = "10.1016/0301-0104(95)00344-2",

language = "English (US)",

volume = "201",

pages = "95--105",

journal = "Chemical Physics",

issn = "0301-0104",

publisher = "Elsevier",

number = "1",

}

TY - JOUR

T1 - Identification of born-oppenheimer potential energy surfaces of diatomic molecules from optimized chirped pulses

AU - Amstrup, Bjarne

AU - Tóth, Gábor J.

AU - Rabitz, Herschel

AU - Lőrincz, András

N1 - Funding Information: Part of this work was supported by The Danish Natural Research Science Council, the OTKA Grant of the Hungarian Academy of Science (OTKA 1890/1991), the US-Hungarian Joint Fund Grant (#168a) and the Office of Naval Research.

PY - 1995/12/1

Y1 - 1995/12/1

N2 - The optimal control of molecules has been widely studied in recent years. In this paper we explore the feasibility of applying adaptive feedback optimal control to determine Born-Oppenheimer (BO) surfaces. If the molecular wave packet is well localized, laser pulses optimized to transfer population between two surfaces contain information on the potential energy difference in the region scanned by the wave packet in the duration of the pulse. By iterating the experiment with the different values of the nuclear separation large regions of the unknown BO surface can be measured if one of the surfaces is known. The method is simulated with a model experiment on CsI. The results show that the BO surface can be determined with reasonable accuracy. Some limitations and possible extensions of the method are discussed.

AB - The optimal control of molecules has been widely studied in recent years. In this paper we explore the feasibility of applying adaptive feedback optimal control to determine Born-Oppenheimer (BO) surfaces. If the molecular wave packet is well localized, laser pulses optimized to transfer population between two surfaces contain information on the potential energy difference in the region scanned by the wave packet in the duration of the pulse. By iterating the experiment with the different values of the nuclear separation large regions of the unknown BO surface can be measured if one of the surfaces is known. The method is simulated with a model experiment on CsI. The results show that the BO surface can be determined with reasonable accuracy. Some limitations and possible extensions of the method are discussed.

UR - http://www.scopus.com/inward/record.url?scp=0038783613&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0038783613&partnerID=8YFLogxK

U2 - 10.1016/0301-0104(95)00344-2

DO - 10.1016/0301-0104(95)00344-2

M3 - Article

AN - SCOPUS:0038783613

SN - 0301-0104

VL - 201

SP - 95

EP - 105

JO - Chemical Physics

JF - Chemical Physics

IS - 1

ER -

Identification of born-oppenheimer potential energy surfaces of diatomic molecules from optimized chirped pulses

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this