Rehr JJ - Search Results

1

Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions.

Peng B, Pathak H, Panyala A, Vila FD, Rehr JJ, Kowalski K. Peng B, et al. Among authors: rehr jj. J Chem Phys. 2024 Nov 28;161(20):204102. doi: 10.1063/5.0233339. J Chem Phys. 2024. PMID: 39575730

2

Correlation dynamics and enhanced signals for the identification of serial biomolecules and DNA bases.

Ahmed T, Haraldsen JT, Rehr JJ, Di Ventra M, Schuller I, Balatsky AV. Ahmed T, et al. Among authors: rehr jj. Nanotechnology. 2014 Mar 28;25(12):125705. doi: 10.1088/0957-4484/25/12/125705. Epub 2014 Feb 27. Nanotechnology. 2014. PMID: 24577191

3

Effects of adsorbate coverage and bond-length disorder on the d-band center of carbon-supported Pt catalysts.

Small MW, Kas JJ, Kvashnina KO, Rehr JJ, Nuzzo RG, Tromp M, Frenkel AI. Small MW, et al. Among authors: rehr jj. Chemphyschem. 2014 Jun 6;15(8):1569-72. doi: 10.1002/cphc.201400055. Epub 2014 Mar 13. Chemphyschem. 2014. PMID: 24634366

4

The status of strontium in biological apatites: an XANES/EXAFS investigation.

Bazin D, Dessombz A, Nguyen C, Ea HK, Lioté F, Rehr J, Chappard C, Rouzière S, Thiaudière D, Reguer S, Daudon M. Bazin D, et al. J Synchrotron Radiat. 2014 Jan;21(Pt 1):136-42. doi: 10.1107/S1600577513023771. Epub 2013 Nov 2. J Synchrotron Radiat. 2014. PMID: 24365928

5

Valence electron photoemission spectrum of semiconductors: ab initio description of multiple satellites.

Guzzo M, Lani G, Sottile F, Romaniello P, Gatti M, Kas JJ, Rehr JJ, Silly MG, Sirotti F, Reining L. Guzzo M, et al. Among authors: rehr jj. Phys Rev Lett. 2011 Oct 14;107(16):166401. doi: 10.1103/PhysRevLett.107.166401. Epub 2011 Oct 12. Phys Rev Lett. 2011. PMID: 22107408

6

The status of strontium in biological apatites: an XANES investigation.

Bazin D, Daudon M, Chappard Ch, Rehr JJ, Thiaudière D, Reguer S. Bazin D, et al. Among authors: rehr jj. J Synchrotron Radiat. 2011 Nov;18(Pt 6):912-8. doi: 10.1107/S0909049511032651. Epub 2011 Sep 16. J Synchrotron Radiat. 2011. PMID: 21997917

7

Real-time time-dependent density functional theory approach for frequency-dependent nonlinear optical response in photonic molecules.

Takimoto Y, Vila FD, Rehr JJ. Takimoto Y, et al. Among authors: rehr jj. J Chem Phys. 2007 Oct 21;127(15):154114. doi: 10.1063/1.2790014. J Chem Phys. 2007. PMID: 17949139

8

The local electronic structure of alpha-Li3N.

Fister TT, Seidler GT, Shirley EL, Vila FD, Rehr JJ, Nagle KP, Linehan JC, Cross JO. Fister TT, et al. Among authors: rehr jj. J Chem Phys. 2008 Jul 28;129(4):044702. doi: 10.1063/1.2949550. J Chem Phys. 2008. PMID: 18681665

9

Parameter-free calculations of X-ray spectra with FEFF9.

Rehr JJ, Kas JJ, Vila FD, Prange MP, Jorissen K. Rehr JJ, et al. Phys Chem Chem Phys. 2010 Jun 7;12(21):5503-13. doi: 10.1039/b926434e. Epub 2010 May 6. Phys Chem Chem Phys. 2010. PMID: 20445945

10

Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids.

Vila FD, Strubbe DA, Takimoto Y, Andrade X, Rubio A, Louie SG, Rehr JJ. Vila FD, et al. Among authors: rehr jj. J Chem Phys. 2010 Jul 21;133(3):034111. doi: 10.1063/1.3457362. J Chem Phys. 2010. PMID: 20649312

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