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Title: Ultrafast Processes in Atoms and Molecules: Integrated treatment of electronic and nuclear motion in ultrashort XUV pulses

Abstract

This project made use of Multiconfiguration Time-Dependent Hartree-Fock method developed earlier in the McCurdy group in a series of novel applications of the method to ultrafast spectroscopic processes. MCTDHF treats the dynamics of a molecule or atom under the influence of an external field in manner that has all electrons active. That property distinguishes this method from the more popular (and much less computationally demanding) approaches for treating the electron dynamics of atoms and molecules in fields, such as the time-dependent “Configuration Interaction Singles” approximation or approaches that limit the treatment to either one or two-electron models.

Authors:
 [1]
  1. Univ. of California, Davis, CA (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Univ. of California, Davis, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1413524
Report Number(s):
DE-SC-0007182
ER 16249
DOE Contract Number:
SC0007182
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; Ultrafast

Citation Formats

McCurdy, C. William. Ultrafast Processes in Atoms and Molecules: Integrated treatment of electronic and nuclear motion in ultrashort XUV pulses. United States: N. p., 2017. Web. doi:10.2172/1413524.
McCurdy, C. William. Ultrafast Processes in Atoms and Molecules: Integrated treatment of electronic and nuclear motion in ultrashort XUV pulses. United States. doi:10.2172/1413524.
McCurdy, C. William. Thu . "Ultrafast Processes in Atoms and Molecules: Integrated treatment of electronic and nuclear motion in ultrashort XUV pulses". United States. doi:10.2172/1413524. https://www.osti.gov/servlets/purl/1413524.
@article{osti_1413524,
title = {Ultrafast Processes in Atoms and Molecules: Integrated treatment of electronic and nuclear motion in ultrashort XUV pulses},
author = {McCurdy, C. William},
abstractNote = {This project made use of Multiconfiguration Time-Dependent Hartree-Fock method developed earlier in the McCurdy group in a series of novel applications of the method to ultrafast spectroscopic processes. MCTDHF treats the dynamics of a molecule or atom under the influence of an external field in manner that has all electrons active. That property distinguishes this method from the more popular (and much less computationally demanding) approaches for treating the electron dynamics of atoms and molecules in fields, such as the time-dependent “Configuration Interaction Singles” approximation or approaches that limit the treatment to either one or two-electron models.},
doi = {10.2172/1413524},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Dec 14 00:00:00 EST 2017},
month = {Thu Dec 14 00:00:00 EST 2017}
}

Technical Report:

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