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Molecular dynamics simulation of electronically excited polyatomic molecules

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Abstract

A computer simulation method is proposed for MD study of the photoinduced intramolecular dynamics in polyatomic molecules electronically excited by ultrashort laser pulses. An efficient, partially analytical procedure for calculation of the absorption (emission) spectra is developed and used for determination of molecular potentials in accordance with the experimental supersonic jets spectra. (author). 21 refs, 4 figs, 1 tab.
Authors:
Vachev, V D; [1]  Grishanin, B A; Zadkov, V N [2] 
  1. International Centre for Theoretical Physics, Trieste (Italy)
  2. International Laser Centre, Moscow (Russian Federation)
Publication Date:
Jan 01, 1993
Product Type:
Technical Report
Report Number:
LAMP-93/1
Reference Number:
SCA: 664200; PA: AIX-24:036977; SN: 93000977485
Resource Relation:
Other Information: PBD: Jan 1993; Related Information: LAMP series report (Laser, Atomic and Molecular Physics)
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; STILBENE; ABSORPTION SPECTRA; EMISSION SPECTRA; ANALYTICAL SOLUTION; COMPUTERIZED SIMULATION; EXCITED STATES; FLUORESCENCE SPECTROSCOPY; GROUND STATES; LASER RADIATION; 664200; SPECTRA OF ATOMS AND MOLECULES AND THEIR INTERACTIONS WITH PHOTONS
OSTI ID:
10144857
Research Organizations:
International Centre for Theoretical Physics (ICTP), Trieste (Italy)
Country of Origin:
IAEA
Language:
English
Other Identifying Numbers:
Other: ON: DE93623045; TRN: XA9333721036977
Availability:
OSTI; NTIS (US Sales Only); INIS
Submitting Site:
INIS
Size:
[14] p.
Announcement Date:
Jul 05, 2005

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Citation Formats

Vachev, V D, Grishanin, B A, and Zadkov, V N. Molecular dynamics simulation of electronically excited polyatomic molecules. IAEA: N. p., 1993. Web.
Vachev, V D, Grishanin, B A, & Zadkov, V N. Molecular dynamics simulation of electronically excited polyatomic molecules. IAEA.
Vachev, V D, Grishanin, B A, and Zadkov, V N. 1993. "Molecular dynamics simulation of electronically excited polyatomic molecules." IAEA.
@misc{etde_10144857,
title = {Molecular dynamics simulation of electronically excited polyatomic molecules}
 author = {Vachev, V D, Grishanin, B A, and Zadkov, V N}
 abstractNote = {A computer simulation method is proposed for MD study of the photoinduced intramolecular dynamics in polyatomic molecules electronically excited by ultrashort laser pulses. An efficient, partially analytical procedure for calculation of the absorption (emission) spectra is developed and used for determination of molecular potentials in accordance with the experimental supersonic jets spectra. (author). 21 refs, 4 figs, 1 tab.}
 place = {IAEA}
 year = {1993}
 month = {Jan}
 }