skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Finite-temperature calculations of the Compton profile of Be, Li, and Si

; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
Grant/Contract Number:  
FG03-97ER45623; SC0008580; AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 94 Journal Issue: 21; Journal ID: ISSN 2469-9950
American Physical Society
Country of Publication:
United States

Citation Formats

Klevak, E., Vila, F. D., Kas, J. J., Rehr, J. J., and Seidler, G. T. Finite-temperature calculations of the Compton profile of Be, Li, and Si. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.214201.
Klevak, E., Vila, F. D., Kas, J. J., Rehr, J. J., & Seidler, G. T. Finite-temperature calculations of the Compton profile of Be, Li, and Si. United States. doi:10.1103/PhysRevB.94.214201.
Klevak, E., Vila, F. D., Kas, J. J., Rehr, J. J., and Seidler, G. T. Fri . "Finite-temperature calculations of the Compton profile of Be, Li, and Si". United States. doi:10.1103/PhysRevB.94.214201.
title = {Finite-temperature calculations of the Compton profile of Be, Li, and Si},
author = {Klevak, E. and Vila, F. D. and Kas, J. J. and Rehr, J. J. and Seidler, G. T.},
abstractNote = {},
doi = {10.1103/PhysRevB.94.214201},
journal = {Physical Review B},
number = 21,
volume = 94,
place = {United States},
year = {2016},
month = {12}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.94.214201

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Real space calculation of optical constants from optical to x-ray frequencies
journal, October 2009

Phonon spectrum of beryllium at 80K
journal, February 1976

Electron momentum densities in disordered muffin-tin alloys
journal, April 1981

High-Resolution Compton Scattering Study of Li: Asphericity of the Fermi Surface and Electron Correlation Effects
journal, March 1995

Effects of Electron Correlations on Compton Profiles of Li and Na in the GW Approximation
journal, August 1997

  • Kubo, Yasunori
  • Journal of the Physical Society of Japan, Vol. 66, Issue 8
  • DOI: 10.1143/JPSJ.66.2236

Quantum Monte Carlo calculation of Compton profiles of solid lithium
journal, March 1999

Projector augmented-wave method
journal, December 1994

Anharmonic Thermal Oscillations of the Electron Momentum Distribution in Lithium Fluoride
journal, September 2015

Visualizing the Mixed Bonding Properties of Liquid Boron with High-Resolution X-Ray Compton Scattering
journal, April 2015

Thermal disorder versus correlation in Compton profiles from alkali metals
journal, February 1998

Imaging Doped Holes in a Cuprate Superconductor with High-Resolution Compton Scattering
journal, April 2011

How the hydrogen bond in NH 4 F is revealed with Compton scattering
journal, April 2009

Real-space Green's function calculations of Compton profiles
journal, March 2012

Compton scattering and the character of the hydrogen bond in ice Ih
journal, July 2001

  • Romero, Aldo H.; Silvestrelli, Pier Luigi; Parrinello, Michele
  • The Journal of Chemical Physics, Vol. 115, Issue 1
  • DOI: 10.1063/1.1372183

Correlation of hydrogen bond lengths and angles in liquid water based on Compton scattering
journal, August 2006

  • Hakala, M.; Nygård, K.; Manninen, S.
  • The Journal of Chemical Physics, Vol. 125, Issue 8
  • DOI: 10.1063/1.2273627

Specific heat enhancements from effects of density-of-states and charge transfers
journal, May 1993

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008

Pseudopotential Calculation of Phonon Frequencies and Grüneisen Parameters for Lithium
journal, February 1969

Linear methods in band theory
journal, October 1975

Electronic structure of Li with emphasis on the momentum density and the Compton profile
journal, September 2005

Investigation of temperature dependence of Compton profiles in lithium
journal, April 1999

Compton Scattering of X Rays from Bound Electrons
journal, August 1970

Full-potential LAPW calculation of electron momentum density and related properties of Li
journal, October 1999

Charge localization in alcohol isomers studied by Compton scattering
journal, January 2009

  • Hakala, M.; Nygård, K.; Vaara, J.
  • The Journal of Chemical Physics, Vol. 130, Issue 3
  • DOI: 10.1063/1.3059421

The electronic structure of some A15 compounds by semiself-consistent band calculations
journal, September 1977

Temperature influence on the valence Compton profiles of aluminum and lithium
journal, January 2001

Inelastic scattering from core electrons: A multiple scattering approach
journal, July 2005

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Unified Approach for Molecular Dynamics and Density-Functional Theory
journal, November 1985

Ab initio theory and calculations of X-ray spectra
journal, July 2009

High-momentum components and temperature dependence of the Compton profile of beryllium
journal, August 2002

Influence of lattice dynamics on electron momentum density of lithium
journal, March 2000

On the calculation of the energy of a Bloch wave in a metal
journal, August 1947

A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984

  • Nosé, Shuichi
  • The Journal of Chemical Physics, Vol. 81, Issue 1
  • DOI: 10.1063/1.447334

Comment on “Effects of Electron Correlation. . . .” by Y. K UBO , J. Phys. Soc. Jpn. 66 (1997) 2236
journal, July 1999

Compton Anisotropy from Wannier Functions in the Case of Ice Ih
journal, July 2000

Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-Ray Scattering
journal, February 2012

Electron momentum density in liquid silicon
journal, September 2013

Momentum density and Compton profile of the inhomogeneous interacting electronic system. I. Formalism
journal, June 1974

Electron momentum-space densities of Li metal: A high-resolution Compton-scattering study
journal, November 1996