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Efficient implementation of core-excitation Bethe–Salpeter equation calculations

Computer physics communications, 2015-12, Vol.197 (C), p.109-117

2015

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Progress in the theory and interpretation of XANES

Coordination Chemistry Reviews, 2005, Vol.249 (1), p.131-140

2005

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Theory of multi-atom resonant Raman scattering

Journal of electron spectroscopy and related phenomena, 2019-05, Vol.233, p.57-63

2019

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Theory and calculations of X-ray spectra: XAS, XES, XRS, and NRIXS

Radiation physics and chemistry (Oxford, England : 1993), 2006-11, Vol.75 (11), p.1547-1558

Rehr, J.J.

2006

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Practical aspects of electron energy-loss spectroscopy (EELS) calculations using FEFF8

Micron (Oxford, England : 1993), 2007, Vol.38 (1), p.1-11

2007

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Surface complexation and precipitate geometry for aqueous Zn(II) sorption on ferrihydrite: II. XANES analysis and simulation

Geochimica et cosmochimica acta, 2003-03, Vol.67 (5), p.1031-1043

2003

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Analysis of multiple-scattering XAFS data using theoretical standards

Physica. B, Condensed matter, 1995-03, Vol.208 (1-4), p.154-156

1995

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Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

Computer physics communications, 2018-05, Vol.226 (C), p.30-38

2018

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The L2:L3 intensity ratio in soft X-ray emission spectra of 3d-metals

Journal of electron spectroscopy and related phenomena, 2005-07, Vol.148 (1), p.1-4

2005

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Real-space Green’s function approach to photoelectron diffraction

Journal of electron spectroscopy and related phenomena, 2022-08, Vol.259, p.147237, Article 147237

2022

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Full spectrum optical constant interface to the Materials Project

Computational materials science, 2022-01, Vol.201, p.110904, Article 110904

2022

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A high performance scientific cloud computing environment for materials simulations

Computer physics communications, 2012-09, Vol.183 (9), p.1911-1919

2012

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Relativistic Dirac–Fock atom properties for Z=121 to Z=138

Atomic data and nuclear data tables, 2017-03, Vol.114 (C), p.262-280

2017

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Limits and Advantages of X-ray Absorption Near Edge Structure for Nanometer Scale Metallic Clusters

The journal of physical chemistry. B, 2003-11, Vol.107 (45), p.12398-12402

2003

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Relativistic calculations of spin-dependent x-ray-absorption spectra

Physical review. B, Condensed matter, 1997-07, Vol.56 (4), p.R1712-R1716

1997

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Plasmon satellites in valence-band photoemission spectroscopy: Ab initio study of the photon-energy dependence in semiconductors

The European physical journal. B, Condensed matter physics, 2012-09, Vol.85 (9), Article 324

2012

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Theory and Parameter Free Calculations of EELS and X-ray Spectra

Microscopy and microanalysis, 2016-07, Vol.22 (S3), p.1408-1409

2016

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Crystallographic structure of cobalt films on Cu(001): elastic deformation to a tetragonal structure

Surface science, 1994-06, Vol.312 (1), p.62-72

1994

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Quantitative first-principles calculations of valence and core excitation spectra of solid C60

Physical review. B, 2017-03, Vol.95 (11), p.115112

2017

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Comparison of theoretical and experimental Cu and Mo K-edge XAS

Nuclear instruments & methods in physics research. Section A, Accelerators, spectrometers, detectors and associated equipment, 2010-07, Vol.619 (1), p.28-32

2010

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High-order multiple-scattering calculations of X-ray-absorption fine structure

Physical review letters, 1992-12, Vol.69 (23), p.3397-3400

1992

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Hybridization peaks in Pt–Cl XANES1Supported in part by the US DOE and by UOP LLC.1

Chemical physics letters, 2000-01, Vol.316 (5-6), p.495-500

2000

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Coordination chemistry of Ti(IV) in silicate glasses and melts: I. XAFS study of titanium coordination in oxide model compounds

Geochimica et cosmochimica acta, 1996-08, Vol.60 (16), p.3023-3038

1996

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Mass Absorption Coefficient of Tungsten and Tantalum, 1450 eV to 2350 eV: Experiment, Theory, and Application

Journal of research of the National Institute of Standards and Technology, 2003-01, Vol.108 (1), p.1-10

2003

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Electronic structure of cubic HfxTa1–xCy carbides from X-ray spectroscopy studies and cluster self-consistent calculations

Journal of alloys and compounds, 2008-08, Vol.462 (1-2), p.4-10

2008

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Efficient implementation of core-excitation Bethe–Salpeter equation calculations

Progress in the theory and interpretation of XANES

Theory of multi-atom resonant Raman scattering

Theory and calculations of X-ray spectra: XAS, XES, XRS, and NRIXS

Practical aspects of electron energy-loss spectroscopy (EELS) calculations using FEFF8

Surface complexation and precipitate geometry for aqueous Zn(II) sorption on ferrihydrite: II. XANES analysis and simulation

Analysis of multiple-scattering XAFS data using theoretical standards

Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

The L2:L3 intensity ratio in soft X-ray emission spectra of 3d-metals

Real-space Green’s function approach to photoelectron diffraction

Full spectrum optical constant interface to the Materials Project

A high performance scientific cloud computing environment for materials simulations

Relativistic Dirac–Fock atom properties for Z=121 to Z=138

Limits and Advantages of X-ray Absorption Near Edge Structure for Nanometer Scale Metallic Clusters

Relativistic calculations of spin-dependent x-ray-absorption spectra

Plasmon satellites in valence-band photoemission spectroscopy: Ab initio study of the photon-energy dependence in semiconductors

Theory and Parameter Free Calculations of EELS and X-ray Spectra

Crystallographic structure of cobalt films on Cu(001): elastic deformation to a tetragonal structure

Quantitative first-principles calculations of valence and core excitation spectra of solid C60

Comparison of theoretical and experimental Cu and Mo K-edge XAS

High-order multiple-scattering calculations of X-ray-absorption fine structure

Hybridization peaks in Pt–Cl XANES1Supported in part by the US DOE and by UOP LLC.1

Coordination chemistry of Ti(IV) in silicate glasses and melts: I. XAFS study of titanium coordination in oxide model compounds

Mass Absorption Coefficient of Tungsten and Tantalum, 1450 eV to 2350 eV: Experiment, Theory, and Application

Electronic structure of cubic HfxTa1–xCy carbides from X-ray spectroscopy studies and cluster self-consistent calculations

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