Zobrazeno 1 - 10
of 53
pro vyhledávání: '"J. J. Kas"'
Publikováno v:
Frontiers in Chemistry, Vol 9 (2021)
Green’s function methods provide a robust, general framework within many-body theory for treating electron correlation in both excited states and x-ray spectra. Conventional methods using the Dyson equation or the cumulant expansion are typically b
Externí odkaz:
https://doaj.org/article/d735f6dc98ef43d9b3308d406daa1363
Publikováno v:
Physical Review Research, Vol 2, Iss 3, p 033147 (2020)
Most currently used approximations for the one-particle Green's function G in the framework of many-body perturbation theory, such as Hedin's GW approximation or the cumulant GW+C approach, are based on a linear-response approximation for the screene
Externí odkaz:
https://doaj.org/article/4efd01233444475c9fa961477aebe4e7
Publikováno v:
Journal of Synchrotron Radiation. 28:1801-1810
The real-space Green's function code FEFF has been extensively developed and used for calculations of X-ray and related spectra, including X-ray absorption (XAS), X-ray emission (XES), inelastic X-ray scattering, and electron energy-loss spectra. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::664797243b8645c5418b5b92c5fffe53
https://doi.org/10.1107/s1600577521008614
https://doi.org/10.1107/s1600577521008614
Effects of finite-temperature quasiparticle self-energy corrections to x-ray absorption spectra are investigated within the finite-temperature quasiparticle local density GW approximation up to temperatures $T$ of order the Fermi temperature. To faci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ece34fd0e6662b518e02764e0bda371
http://arxiv.org/abs/2208.02390
http://arxiv.org/abs/2208.02390
Publikováno v:
International Tables for Crystallography ISBN: 9781119433941
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4c0c286349dd65e1662c2f32c303c71
https://doi.org/10.1107/s1574870720007508
https://doi.org/10.1107/s1574870720007508
Publikováno v:
International Tables for Crystallography ISBN: 9781119433941
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0abadc54098b46fb83fb3deca244521a
https://doi.org/10.1107/s1574870720007521
https://doi.org/10.1107/s1574870720007521
Publikováno v:
Physical Review Letters. 128
The treatment of electronic correlations in open-shell systems is among the most challenging problems of condensed matter theory. Current approximations are only partly successful. Ligand field multiplet theory (LFMT) has been widely successful in de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd85c8652675a25abd6c6b5d686d5076
https://doi.org/10.1103/physrevlett.128.216401
https://doi.org/10.1103/physrevlett.128.216401
Publikováno v:
Journal of chemical theory and computation. 18(3)
Many-body excitations in X-ray photoemission spectra have been difficult to simulate from first principles. We have recently developed a cumulant-based one-electron Green's function method using the real-time coupled-cluster-singles equation-of-motio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f259e125416eb7ffd42c265db9f6c19
https://pubmed.ncbi.nlm.nih.gov/35157796
https://pubmed.ncbi.nlm.nih.gov/35157796
Publikováno v:
Physical Review B. 104
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7dec30a16c89629be0a2112ef74cc381
https://doi.org/10.1103/physrevb.104.245131
https://doi.org/10.1103/physrevb.104.245131
Autor:
M. Rossi, H. Lu, A. Nag, D. Li, M. Osada, K. Lee, B. Y. Wang, S. Agrestini, M. Garcia-Fernandez, J. J. Kas, Y.-D. Chuang, Z. X. Shen, H. Y. Hwang, B. Moritz, Ke-Jin Zhou, T. P. Devereaux, W. S. Lee
Publikováno v:
Physical Review B, vol 104, iss 22
The recent discovery of superconductivity in Nd$_{1-x}$Sr$_{x}$NiO$_2$ has drawn significant attention in the field. A key open question regards the evolution of the electronic structure with respect to hole doping. Here, we exploit x-ray absorption
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dbd0dacdac70ca732d3fa44cc57e9272
https://doi.org/10.1103/physrevb.104.l220505
https://doi.org/10.1103/physrevb.104.l220505