Vila FD - Search Results

1

Real-Time Coupled-Cluster Approach for the Cumulant Green's Function.

Vila FD, Rehr JJ, Kas JJ, Kowalski K, Peng B. Vila FD, et al. J Chem Theory Comput. 2020 Nov 10;16(11):6983-6992. doi: 10.1021/acs.jctc.0c00639. Epub 2020 Oct 28. J Chem Theory Comput. 2020. PMID: 33108872

2

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: vila fd. J Chem Phys. 2007 Oct 21;127(15):154114. doi: 10.1063/1.2790014. J Chem Phys. 2007. PMID: 17949139

3

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: vila fd. J Chem Phys. 2008 Jul 28;129(4):044702. doi: 10.1063/1.2949550. J Chem Phys. 2008. PMID: 18681665

4

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

Rehr JJ, Kas JJ, Vila FD, Prange MP, Jorissen K. Rehr JJ, et al. Among authors: vila fd. 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

5

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. J Chem Phys. 2010 Jul 21;133(3):034111. doi: 10.1063/1.3457362. J Chem Phys. 2010. PMID: 20649312

6

X-ray emission spectroscopy of nitrogen-rich compounds.

Vila FD, Jach T, Elam WT, Rehr JJ, Denlinger JD. Vila FD, et al. J Phys Chem A. 2011 Apr 21;115(15):3243-50. doi: 10.1021/jp108539v. Epub 2011 Mar 31. J Phys Chem A. 2011. PMID: 21452848

7

Nonstoichiometric intensities in core photoelectron spectroscopy.

Söderström J, Mårtensson N, Travnikova O, Patanen M, Miron C, Sæthre LJ, Børve KJ, Rehr JJ, Kas JJ, Vila FD, Thomas TD, Svensson S. Söderström J, et al. Among authors: vila fd. Phys Rev Lett. 2012 May 11;108(19):193005. doi: 10.1103/PhysRevLett.108.193005. Epub 2012 May 11. Phys Rev Lett. 2012. PMID: 23003034

8

Intensity oscillations in the carbon 1s ionization cross sections of 2-butyne.

Carroll TX, Zahl MG, Børve KJ, Sæthre LJ, Decleva P, Ponzi A, Kas JJ, Vila FD, Rehr JJ, Thomas TD. Carroll TX, et al. Among authors: vila fd. J Chem Phys. 2013 Jun 21;138(23):234310. doi: 10.1063/1.4810870. J Chem Phys. 2013. PMID: 23802963

9

Dynamic structural disorder in supported nanoscale catalysts.

Rehr JJ, Vila FD. Rehr JJ, et al. Among authors: vila fd. J Chem Phys. 2014 Apr 7;140(13):134701. doi: 10.1063/1.4869178. J Chem Phys. 2014. PMID: 24712802

10

Electronic Structures of Formic Acid (HCOOH) and Formate (HCOO(-)) in Aqueous Solutions.

Brown MA, Vila F, Sterrer M, Thürmer S, Winter B, Ammann M, Rehr JJ, van Bokhoven JA. Brown MA, et al. J Phys Chem Lett. 2012 Jul 5;3(13):1754-9. doi: 10.1021/jz300510r. Epub 2012 Jun 21. J Phys Chem Lett. 2012. PMID: 26291855

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