Real-Time Coupled-Cluster Approach for the Cumulant Green’s Function
Vila, F. D, Rehr, J. J, Kas, J. J, Kowalski, K, Peng, B
Published in Journal of chemical theory and computation (10.11.2020)
Published in Journal of chemical theory and computation (10.11.2020)
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Journal Article
Equation of motion coupled-cluster cumulant approach for intrinsic losses in x-ray spectra
Rehr, J J, Vila, F D, Kas, J J, Hirshberg, N Y, Kowalski, K, Peng, B
Published in The Journal of chemical physics (07.05.2020)
Published in The Journal of chemical physics (07.05.2020)
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Journal Article
Real-Time Equation-of-Motion CCSD Cumulant Green’s Function
Vila, F. D, Kowalski, K, Peng, B, Kas, J. J, Rehr, J. J
Published in Journal of chemical theory and computation (08.03.2022)
Published in Journal of chemical theory and computation (08.03.2022)
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Journal Article
A transferable H2O interaction potential based on a single center multipole expansion: SCME
Wikfeldt, K. T, Batista, E. R, Vila, F. D, Jónsson, H
Published in Physical chemistry chemical physics : PCCP (21.10.2013)
Published in Physical chemistry chemical physics : PCCP (21.10.2013)
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Journal Article
Equation-of-Motion Coupled-Cluster Cumulant Green’s Function for Excited States and X-Ray Spectra
Vila, F. D., Kas, J. J., Rehr, J. J., Kowalski, K., Peng, B.
Published in Frontiers in chemistry (22.09.2021)
Published in Frontiers in chemistry (22.09.2021)
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Journal Article
Comparison of Static First Hyperpolarizabilities Calculated with Various Quantum Mechanical Methods
Isborn, C. M, Leclercq, A, Vila, F. D, Dalton, L. R, Brédas, J. L, Eichinger, B. E, Robinson, B. H
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.02.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.02.2007)
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Journal Article
Advanced calculations of X‐ray spectroscopies with FEFF10 and Corvus
Kas, J. J., Vila, F. D., Pemmaraju, C. D., Tan, T. S., Rehr, J. J.
Published in Journal of synchrotron radiation (01.11.2021)
Published in Journal of synchrotron radiation (01.11.2021)
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Journal Article
Characterization of Coke on a Pt-Re/γ-Al2O3 Re-Forming Catalyst: Experimental and Theoretical Study
Bare, Simon R, Vila, F. D, Charochak, Meghan E, Prabhakar, Sesh, Bradley, William J, Jaye, Cherno, Fischer, Daniel A, Hayashi, S. T, Bradley, Steven A, Rehr, J. J
Published in ACS catalysis (03.02.2017)
Published in ACS catalysis (03.02.2017)
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Journal Article
Quantitative first-principles calculations of valence and core excitation spectra of solid C 60
Fossard, F, Hug, G, Gilmore, K, Kas, J J, Rehr, J J, Vila, F D, Shirley, E L
Published in Physical review. B (08.03.2017)
Published in Physical review. B (08.03.2017)
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Journal Article
Nonstoichiometric intensities in core photoelectron spectroscopy
Söderström, J, Mårtensson, N, Travnikova, O, Patanen, M, Miron, C, Sæthre, L J, Børve, K J, Rehr, J J, Kas, J J, Vila, F D, Thomas, T D, Svensson, S
Published in Physical review letters (11.05.2012)
Published in Physical review letters (11.05.2012)
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Journal Article
Energy dependent relative cross sections in carbon 1s photoionization
Travnikova, O, Patanen, M, Söderström, J, Lindblad, A, Kas, J J, Vila, F D, Céolin, D, Nicolas, C, Marchenko, T, Goldsztejn, G, Journel, L, Guillemin, R, Carroll, T X, Børve, K J, Decleva, P, Rehr, J J, Mårtensson, N, Simon, M, Svensson, S, Sæthret, L J
Published in Journal of physics. Conference series (01.01.2020)
Published in Journal of physics. Conference series (01.01.2020)
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Journal Article
On the relation between X-ray Photoelectron Spectroscopy and XAFS
Mårtensson, N, Söderstrom, J, Svensson, S, Travnikova, O, Patanen, M, Miron, C, Sæthre, L J, Børve, K J, Thomas, T D, Kas, J J, Vila, F D, Rehr, J J
Published in Journal of physics. Conference series (01.01.2013)
Published in Journal of physics. Conference series (01.01.2013)
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Journal Article
The local electronic structure of alpha-Li3N
Fister, T T, Seidler, G T, Shirley, E L, Vila, F D, Rehr, J J, Nagle, K P, Linehan, J C, Cross, J O
Published in The Journal of chemical physics (28.07.2008)
Published in The Journal of chemical physics (28.07.2008)
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Journal Article
Real-time coupled-cluster approach for the cumulant Green's function
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Journal Article
Efficient implementation of core-excitation Bethe–Salpeter equation calculations
Gilmore, K., Vinson, John, Shirley, E.L., Prendergast, D., Pemmaraju, C.D., Kas, J.J., Vila, F.D., Rehr, J.J.
Published in Computer physics communications (01.12.2015)
Published in Computer physics communications (01.12.2015)
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Journal Article
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
Pemmaraju, C.D., Vila, F.D., Kas, J.J., Sato, S.A., Rehr, J.J., Yabana, K., Prendergast, David
Published in Computer physics communications (01.05.2018)
Published in Computer physics communications (01.05.2018)
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Journal Article