المؤلفون: Daniel Mejia-Rodriguez (11786026), Alexander Kunitsa (11786029), Edoardo Aprà (1273671), Niranjan Govind (1277112)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, studied ethyl trifluoroacetate, semicore ionization energies, core65 data sets, quasiparticle equation solver, benchmark tests using, core ionization spectroscopies, minres solver, approaches using, water clusters, parallel performance, increasing size, implementation using, gw <, esca molecule, deformation method, deformation approach, coulomb interaction, core spectra, computational scaling, complex heuristic, also demonstrate, 1 order

Relation: https://figshare.com/articles/journal_contribution/Scalable_Molecular_GW_Calculations_Valence_and_Core_Spectra/17118487

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00738.s001

المؤلفون: Nenov A., Segatta F., Bruner A., Mukamel S., Garavelli M.

المساهمون: Nenov A., Segatta F., Bruner A., Mukamel S., Garavelli M.

مصطلحات موضوعية: X-ray non-linear spectroscopy ESCA molecule RASPT2

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/31542011; info:eu-repo/semantics/altIdentifier/wos/WOS:000487317400023; volume:151; issue:11; firstpage:114110-1; lastpage:114110-1; numberofpages:15; journal:THE JOURNAL OF CHEMICAL PHYSICS; http://hdl.handle.net/11585/731523; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85072565548; http://scitation.aip.org/content/aip/journal/jcp

الاتاحة: http://hdl.handle.net/11585/731523
https://doi.org/10.1063/1.5116699
http://scitation.aip.org/content/aip/journal/jcp

المؤلفون: Artur Nenov, Francesco Segatta, Marco Garavelli, Adam Bruner, Shaul Mukamel

المساهمون: Nenov A., Segatta F., Bruner A., Mukamel S., Garavelli M.

مصطلحات موضوعية: Physics, 010304 chemical physics, Terahertz radiation, Free-electron laser, X-ray non-linear spectroscopy ESCA molecule RASPT2, General Physics and Astronomy, Electronic structure, Time-dependent density functional theory, 010402 general chemistry, 01 natural sciences, Spectral line, 0104 chemical sciences, Nonlinear system, Chemical physics, 0103 physical sciences, Molecule, Physical and Theoretical Chemistry, Spectroscopy

وصف الملف: STAMPA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d7e40341fe7c2bbbaa337835c21cf3f
http://hdl.handle.net/11585/731523