Shirley EL - Search Results

1

Local atomic geometry and Ti 1s near-edge spectra in PbTiO₃ and SrTiO₃.

Cockayne E, Shirley EL, Ravel BD, Woicik JC. Cockayne E, et al. Among authors: shirley el. Phys Rev B. 2018;98:10.1103/PhysRevB.98.014111. doi: 10.1103/PhysRevB.98.014111. Phys Rev B. 2018. PMID: 30984900 Free PMC article.

2

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

Liang Y, Vinson J, Pemmaraju S, Drisdell WS, Shirley EL, Prendergast D. Liang Y, et al. Among authors: shirley el. Phys Rev Lett. 2017 Mar 3;118(9):096402. doi: 10.1103/PhysRevLett.118.096402. Epub 2017 Mar 3. Phys Rev Lett. 2017. PMID: 28306298 Free PMC article.

3

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

Fossard F, Hug G, Gilmore K, Kas JJ, Rehr JJ, Vila FD, Shirley EL. Fossard F, et al. Among authors: shirley el. Phys Rev B. 2017 Mar;95(11):115112. doi: 10.1103/PhysRevB.95.115112. Epub 2017 Mar 8. Phys Rev B. 2017. PMID: 28819652 Free PMC article.

4

Bethe-Salpeter equation calculations of core excitation spectra.

Vinson J, Rehr JJ, Kas JJ, Shirley EL. Vinson J, et al. Among authors: shirley el. Phys Rev B Condens Matter Mater Phys. 2011;83:10.1103/PhysRevB.83.115106. doi: 10.1103/PhysRevB.83.115106. Phys Rev B Condens Matter Mater Phys. 2011. PMID: 31080344 Free PMC article.

5

Charge-transfer satellites and chemical bonding in photoemission and x-ray absorption of SrTiO₃ and rutile TiO₂: Experiment and first-principles theory with general application to spectroscopic analysis.

Woicik JC, Weiland C, Jaye C, Fischer DA, Rumaiz AK, Shirley EL, Kas JJ, Rehr JJ. Woicik JC, et al. Among authors: shirley el. Phys Rev B. 2020 Jun;101(24):10.1103/physrevb.101.245119. doi: 10.1103/physrevb.101.245119. Phys Rev B. 2020. PMID: 34409240 Free PMC article.

6

Core hole processes in x-ray absorption and photoemission by resonant Auger-electron spectroscopy and first-principles theory.

Woicik JC, Weiland C, Rumaiz AK, Brumbach MT, Ablett JM, Shirley EL, Kas JJ, Rehr JJ. Woicik JC, et al. Among authors: shirley el. Phys Rev B. 2020 Jun;101(24):10.1103/physrevb.101.245105. doi: 10.1103/physrevb.101.245105. Phys Rev B. 2020. PMID: 34409241 Free PMC article.

7

Revisiting the K-edge X-ray absorption fine structure of Si, Ge-Si alloys, and the isoelectronic series: CuBr, ZnSe, GaAs, and Ge.

Shirley EL, Woicik JC. Shirley EL, et al. Phys Chem Chem Phys. 2022 Sep 14;24(35):20742-20759. doi: 10.1039/d2cp00912a. Phys Chem Chem Phys. 2022. PMID: 36043512 Free PMC article.

8

Partial densities of states from x-ray absorption and Auger electron spectroscopy: Use of core-hole memory.

Shirley EL, Weiland C, Woicik JC. Shirley EL, et al. Phys Rev B. 2022 Feb 25;40(2):10.1116/6.0001432. doi: 10.1116/6.0001432. Phys Rev B. 2022. PMID: 36590315 Free PMC article.

9

Fast, efficient, and accurate dielectric screening using a local real-space approach.

Vinson J, Shirley EL. Vinson J, et al. Among authors: shirley el. Phys Rev B. 2022 Jun 15;103(24):10.1103/PhysRevB.103.245143. doi: 10.1103/PhysRevB.103.245143. Phys Rev B. 2022. PMID: 36619706 Free PMC article.

10

Straight-edge diffraction of Planck radiation.

Mohr PJ, Shirley EL. Mohr PJ, et al. Among authors: shirley el. Phys Rev E Stat Nonlin Soft Matter Phys. 2006 Nov;74(5 Pt 2):056606. doi: 10.1103/PhysRevE.74.056606. Epub 2006 Nov 9. Phys Rev E Stat Nonlin Soft Matter Phys. 2006. PMID: 17280005

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