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European Theoretical Spectroscopy Facility (Etsf)

Scholars301
Papers240
Citations0
Related Papers (239)
Publication Date
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Tricks der Tiere und Pflanzen: Spinnenflirt mit Depot-Duftspender
errChemie in Unserer Zeit
IF0.6
err2026-06-01
err0
PREAI
errTetsch, Larissa
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Optical spectra of plasmonic Au clusters and nanoparticles obtained using the TDDFT plus U method
errNanoscale
IF5.1
err2026-02-01
err2
errOAAI
errChaudhary, Mohit; Lerme, Jean; Weissker, Hans-Christian
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Correcting Errors in the Adsorbed Intermediates of CO2 Electroreduction
errCARBON ENERGY
IF24.2
err2025-11-01
err0
errOAAI
errUrrego-Ortiz, Ricardo; Zhong, Camberly Schaffer; Teh, Wei Jie; Builes, Santiago; Yeo, Boon Siang; Calle-Vallejo, Federico
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Precision benchmarks for solids: G0W0 calculations with different basis sets
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2025-02-01
err0
PREAI
errAzizi, Maryam; Delesma, Francisco A.; Giantomassi, Matteo; Zavickis, Davis; Kuisma, Mikael; Thyghesen, Kristian; Golze, Dorothea; Buccheri, Alexander; Zhang, Min-Ye; Rinke, Patrick; Draxl, Claudia; Gulans, Andris; Gonze, Xavier
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Halogen Thermochemistry Assessed with Density Functional Theory: Systematic Errors, Swift Corrections and Effects on Electrochemistry
errCHEMSUSCHEM
IF6.6
err2024-12-09
err0
PREAI
errZapata, Jhon Faber; Urrego-Ortiz, Ricardo; Builes, Santiago; Calle-Vallejo, Federico
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Enhanced spin Hall ratio in two-dimensional semiconductors
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-10-23
err0
errOAAI
errZhou, Jiaqi; Ponce, Samuel; Charlier, Jean-Christophe
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Density functional Bogoliubov-de Gennes theory for superconductors implemented in the SIESTA code
errPHYSICAL REVIEW B
IF3.7
err2024-10-04
err1
errOAAI
errReho, R.; Wittemeier, N.; Kole, A. H.; Ordejon, P.; Zanolli, Z.
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Guidelines for accurate and efficient calculations of mobilities in two-dimensional semiconductors
errPHYSICAL REVIEW B
IF3.7
err2024-09-30
err2
PREAI
errZhou, Jiaqi; Ponce, Samuel; Charlier, Jean-Christophe
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Self-consistent electron lifetimes for electron-phonon scattering
errPHYSICAL REVIEW B
IF3.7
err2024-09-11
err2
errOAAI
errLihm, Jae-Mo; Ponce, Samuel; Park, Cheol-Hwan
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Charge density waves and electron-hole instabilities of the hidden-nesting materials P 4 W 12 O 44, γ- and η-Mo 4 O 11
errPHYSICAL REVIEW B
IF3.7
err2024-09-09
err0
PREAI
errGuster, Bogdan; Pruneda, Miguel; Ordejon, Pablo; Canadell, Enric; Pouget, Jean-Paul
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Rationally designed Ru catalysts supported on TiN for highly efficient and stable hydrogen evolution in alkaline conditions
errNATURE COMMUNICATIONS
IF15.7
err2024-07-29
err9
errOAAI
errZhao, Jia; Urrego-Ortiz, Ricardo; Liao, Nan; Calle-Vallejo, Federico; Luo, Jingshan
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Experimental determination of the temperature- and phase-dependent elastic constants of FeRh
errPHYSICAL REVIEW B
IF3.7
err2024-07-18
err1
errOAAI
errOurdani, D.; Castellano, A.; Vythelingum, A. K.; Arregi, J. A.; Uhlir, V.; Perrin, B.; Belmeguenai, M.; Roussigne, Y.; Gourdon, C.; Verstraete, M. J.; Thevenard, L.
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Excitonic response in transition metal dichalcogenide heterostructures from first principles: Impact of stacking, twisting, and interlayer distance
errPHYSICAL REVIEW B
IF3.7
err2024-07-08
err4
PREAI
errReho, R.; Botello-Mendez, A. R.; Sangalli, D.; Verstraete, M. J.; Zanolli, Zeila
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Ab Initio Electronic, Magnetic, and Optical Properties of Fe Phthalocyanine on Cr2O3(0001)
errMOLECULES
IF4.6
err2024-06-18
err1
errOAAI
errMarino, Marco; Molteni, Elena; Achilli, Simona; Onida, Giovanni; Fratesi, Guido
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Electronic excitation spectra of molecular hydrogen in phase I from quantum Monte Carlo and many-body perturbation methods
errPHYSICAL REVIEW B
IF3.7
err2024-06-11
err2
errOAAI
errGorelov, Vitaly; Holzmann, Markus; Ceperley, David M.; Pierleoni, Carlo
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Ab initio transport theory for the intrinsic spin Hall effect applied to 5 d metals
errPHYSICAL REVIEW B
IF3.7
err2024-05-09
err5
PREAI
errBajaj, Akash; Gupta, Reena; Tokatly, Ilya V.; Sanvito, Stefano; Droghetti, Andrea
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Exploring charge hopping transport in amorphous HfO2: An approach combing ab initio methods and model Hamiltonian
errAPPLIED PHYSICS LETTERS
IF3.6
err2024-02-01
err0
PREAI
errHirchaou, Youssef; Sklenard, Benoit; Goes, Wolfgang; Blaise, Philippe; Triozon, Francois; Li, Jing
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Variational density functional perturbation theory for metals
errPHYSICAL REVIEW B
IF3.7
err2024-01-30
err4
errOAAI
errGonze, Xavier; Rostami, Samare; Tantardini, Christian
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Ab Initio Calculations of Quantum Light-Matter Interactions in General Electromagnetic Environments
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-08
err9
errOAAI
errSvendsen, Mark Kamper; Thygesen, Kristian Sommer; Rubio, Angel; Flick, Johannes
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Minimum conditions for accurate modeling of urea production via co-electrolysis
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2023-09-13
err7
errOAAI
errUrrego-Ortiz, Ricardo; Builes, Santiago; Illas, Francesc; Bromley, Stefan; Figueiredo, Marta Costa; Calle-Vallejo, Federico
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