Modeling L 2,3 -Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory

Kasper, Joseph M.; Lestrange, Patrick J.; Stetina, Torin F.; Li, Xiaosong

doi:10.1021/acs.jctc.7b01279

Title: Modeling L _2,3 -Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory

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Abstract

Not provided.

Authors:

^[1]; Lestrange, Patrick J. ^[1]; Stetina, Torin F. ^[1];

^[1]

Department of Chemistry, University of Washington, Seattle, Washington 98195, United States

Publication Date:: Fri Mar 16 00:00:00 EDT 2018

Research Org.:: Univ. of Washington, Seattle, WA (United States)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1539137

DOE Contract Number:: SC0006863

Resource Type:: Journal Article

Journal Name:: Journal of Chemical Theory and Computation

Additional Journal Information:: Journal Volume: 14; Journal Issue: 4; Journal ID: ISSN 1549-9618

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: Chemistry; Physics

Citation Formats


                    Kasper, Joseph M., Lestrange, Patrick J., Stetina, Torin F., and Li, Xiaosong. Modeling L 2,3 -Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory.  United States: N. p., 2018. 
        Web.  doi:10.1021/acs.jctc.7b01279.

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                    Kasper, Joseph M., Lestrange, Patrick J., Stetina, Torin F., & Li, Xiaosong. Modeling L 2,3 -Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory.  United States.  https://doi.org/10.1021/acs.jctc.7b01279

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                    Kasper, Joseph M., Lestrange, Patrick J., Stetina, Torin F., and Li, Xiaosong. 2018.  
        "Modeling L 2,3 -Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory".  United States.  https://doi.org/10.1021/acs.jctc.7b01279.

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@article{osti_1539137,

  title        = {Modeling L 2,3 -Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory},

  author       = {Kasper, Joseph M. and Lestrange, Patrick J. and Stetina, Torin F. and Li, Xiaosong},

  abstractNote = {Not provided.},

  doi          = {10.1021/acs.jctc.7b01279},

  url          = {https://www.osti.gov/biblio/1539137},
  journal      = {Journal of Chemical Theory and Computation},

  issn         = {1549-9618},

  number       = 4,

  volume       = 14,

  place        = {United States},

  year         = {Fri Mar 16 00:00:00 EDT 2018},

  month        = {Fri Mar 16 00:00:00 EDT 2018}

}

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Journal Article:

https://doi.org/10.1021/acs.jctc.7b01279

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Title: Modeling L 2,3 -Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory

Abstract

Citation Formats

Title: Modeling L _2,3 -Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory