K -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles

Yao, Yi; Yost, Dillon C.; Kanai, Yosuke

doi:10.1103/PhysRevLett.123.066401

Title: $K$ -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles

Authors:: Yao, Yi; Yost, Dillon C.; Kanai, Yosuke

Publication Date:: 2019-08-05

Sponsoring Org.:: USDOE

OSTI Identifier:: 1547960

Grant/Contract Number:: AC02–06CH11357

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 123 Journal Issue: 6; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Yao, Yi, Yost, Dillon C., and Kanai, Yosuke. K -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles.  United States: N. p., 2019. 
Web.  doi:10.1103/PhysRevLett.123.066401.

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                    Yao, Yi, Yost, Dillon C., & Kanai, Yosuke. K -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles.  United States.  https://doi.org/10.1103/PhysRevLett.123.066401

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                    Yao, Yi, Yost, Dillon C., and Kanai, Yosuke. Mon .  
"K -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles".  United States.  https://doi.org/10.1103/PhysRevLett.123.066401.

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@article{osti_1547960,

  title        = {K -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles},

  author       = {Yao, Yi and Yost, Dillon C. and Kanai, Yosuke},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.123.066401},

  journal      = {Physical Review Letters},

  number       = 6,

  volume       = 123,

  place        = {United States},

  year         = {2019},

  month        = {8}

}

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Works referenced in this record:

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Title: K -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Photon-induced Auger effect in biological systems: a review journal, May 2017

A dielectric response study of the electronic stopping power of liquid water for energetic protons and a new I -value for water journal, May 2009

Electronic Stopping Power in LiF from First Principles journal, December 2007

Zur Theorie des Durchgangs schneller Korpuskularstrahlen durch Materie journal, January 1930

Stopping power of molecules for fast ions journal, November 2010

Accurate atomistic first-principles calculations of electronic stopping journal, January 2015

Heavy ion tumour therapy journal, March 2000

Calculated depth-dose distributions for H+ and He+ beams in liquid water journal, August 2009

The mean excitation energy for stopping power I, the Bragg rule, and chemical and phase effects. Application of a statistical treatment to the determination of I for chemically bound particles journal, December 1984

Stopping cross sections of liquid water for MeV energy protons journal, August 2009

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis journal, January 2003

Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers journal, September 2014

Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations journal, December 2012

Optimized norm-conserving Vanderbilt pseudopotentials journal, August 2013

X-ray absorption spectroscopy and X-ray Raman scattering of water and ice; an experimental view journal, March 2010

A combined molecular dynamics and Monte Carlo simulation of the spatial distribution of energy deposition by proton beams in liquid water journal, September 2011

SRIM – The stopping and range of ions in matter (2010) journal, June 2010

Comments on recent measurements of the stopping power of liquid water journal, March 2013

Electron mean-free-path calculations using a model dielectric function journal, January 1987

Energy losses by swift charged particles in the bulk and at the surface of condensed matter journal, July 1982

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional journal, June 2016

Electronic Excitation Dynamics in Liquid Water under Proton Irradiation journal, January 2017

Strongly Constrained and Appropriately Normed Semilocal Density Functional journal, July 2015

Inelastic-collision cross sections for the interactions of totally stripped H, He and C ions with liquid water journal, August 2007

Optical-data model for the stopping power of condensed matter for protons and antiprotons journal, April 1991

Shake-up and shake-off excitations with associated electron losses in X-ray studies of proteins journal, December 2001

Improved charge-state formulas journal, April 2001

Stopping cross-sections of liquid water for 0.3–2.0 MeV protons journal, March 2010

Inelastic collision processes of low-energy protons in liquid water journal, February 2006

Stopping of energetic light ions in elemental matter journal, February 1999

Calculated energy loss of swift He, Li, B, and N ions in Si O 2 , Al 2 O 3 , and Zr O 2 journal, November 2005

The treatment of electronic excitations in atomistic models of radiation damage in metals journal, October 2010

A study of the energy deposition profile of proton beams in materials of hadron therapeutic interest journal, January 2014

Charged-particle therapy in cancer: clinical uses and future perspectives journal, March 2017

Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems journal, June 2017

Theoretical and experimental aspects of the energy loss of relativistic heavily ionizing particles journal, January 1980

Optimization algorithm for the generation of ONCV pseudopotentials journal, November 2015

Electronic cross sections for proton transport in liquid water based on optical-data models journal, August 2006

Inelastic-collision cross sections of liquid water for interactions of energetic protons journal, September 2000

The missing term in effective pair potentials journal, November 1987

A Complete Dielectric Response Model for Liquid Water: A Solution of the Bethe Ridge Problem journal, August 2005

Tumor therapy with heavy ions at GSI journal, February 1998

Title: $K$ -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles

Generalized Gradient Approximation Made Simple
journal, October 1996

Photon-induced Auger effect in biological systems: a review
journal, May 2017

A dielectric response study of the electronic stopping power of liquid water for energetic protons and a new I -value for water
journal, May 2009

Electronic Stopping Power in LiF from First Principles
journal, December 2007

Zur Theorie des Durchgangs schneller Korpuskularstrahlen durch Materie
journal, January 1930

Stopping power of molecules for fast ions
journal, November 2010

Accurate atomistic first-principles calculations of electronic stopping
journal, January 2015

Heavy ion tumour therapy
journal, March 2000

Calculated depth-dose distributions for H+ and He+ beams in liquid water
journal, August 2009

The mean excitation energy for stopping power I, the Bragg rule, and chemical and phase effects. Application of a statistical treatment to the determination of I for chemically bound particles
journal, December 1984

Stopping cross sections of liquid water for MeV energy protons
journal, August 2009

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
journal, January 2003

Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers
journal, September 2014

Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations
journal, December 2012

Optimized norm-conserving Vanderbilt pseudopotentials
journal, August 2013

X-ray absorption spectroscopy and X-ray Raman scattering of water and ice; an experimental view
journal, March 2010

A combined molecular dynamics and Monte Carlo simulation of the spatial distribution of energy deposition by proton beams in liquid water
journal, September 2011

SRIM – The stopping and range of ions in matter (2010)
journal, June 2010

Comments on recent measurements of the stopping power of liquid water
journal, March 2013

Electron mean-free-path calculations using a model dielectric function
journal, January 1987

Energy losses by swift charged particles in the bulk and at the surface of condensed matter
journal, July 1982

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
journal, June 2016

Electronic Excitation Dynamics in Liquid Water under Proton Irradiation
journal, January 2017

Strongly Constrained and Appropriately Normed Semilocal Density Functional
journal, July 2015

Inelastic-collision cross sections for the interactions of totally stripped H, He and C ions with liquid water
journal, August 2007

Optical-data model for the stopping power of condensed matter for protons and antiprotons
journal, April 1991

Shake-up and shake-off excitations with associated electron losses in X-ray studies of proteins
journal, December 2001

Improved charge-state formulas
journal, April 2001

Stopping cross-sections of liquid water for 0.3–2.0 MeV protons
journal, March 2010

Inelastic collision processes of low-energy protons in liquid water
journal, February 2006

Stopping of energetic light ions in elemental matter
journal, February 1999

Calculated energy loss of swift He, Li, B, and N ions in $Si O_{2}$ , ${Al}_{2} O_{3}$ , and $Zr O_{2}$
journal, November 2005

The treatment of electronic excitations in atomistic models of radiation damage in metals
journal, October 2010

A study of the energy deposition profile of proton beams in materials of hadron therapeutic interest
journal, January 2014

Charged-particle therapy in cancer: clinical uses and future perspectives
journal, March 2017

Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems
journal, June 2017

Theoretical and experimental aspects of the energy loss of relativistic heavily ionizing particles
journal, January 1980

Optimization algorithm for the generation of ONCV pseudopotentials
journal, November 2015

Electronic cross sections for proton transport in liquid water based on optical-data models
journal, August 2006

Inelastic-collision cross sections of liquid water for interactions of energetic protons
journal, September 2000

The missing term in effective pair potentials
journal, November 1987

A Complete Dielectric Response Model for Liquid Water: A Solution of the Bethe Ridge Problem
journal, August 2005

Tumor therapy with heavy ions at GSI
journal, February 1998