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Compton scattering is the nonresonant inelastic scattering of an x-ray photon by an electron and has been used to probe the electron momentum distribution in gas-phase and condensed-matter samples. In the low x-ray intensity regime, Compton…

Atomic Physics · Physics 2017-02-16 Sang-Kil Son , Otfried Geffert , Robin Santra

We provide a semiquantitative explanation of a recent experiment on the resonant inelastic x-ray scattering (RIXS) in insulating cuprate La2CuO4 (Y.J. Kim et al., Phys. Rev. Lett. 89, 177003 (2002).). We show theoretically that there are…

Strongly Correlated Electrons · Physics 2009-11-10 Takuji Nomura , Jun-ichi Igarashi

X-ray Free Electron Lasers (XFELs) can probe chemical and biological reactions as they unfold with unprecedented spatial and temporal resolution. A principal challenge in this pursuit is the delivery of samples to the X-ray interaction…

We present a theoretical study of temporal, spectral, and spatial reshaping of intense, ultrafast x-ray pulses propagating through a resonant medium. Our calculations are based on the solution of a 3D time-dependent Schr\"odinger-Maxwell…

Atomic Physics · Physics 2020-12-30 Kai Li , Marie Labeye , Phay J. Ho , Mette B. Gaarde , Linda Young

We present a theory of the resonant inelastic x-ray scattering (RIXS) to study electronic excitations in orbital ordered manganites. The charge and orbital excitations of the Mn 3d electron are caused by the Coulomb interactions in the…

Strongly Correlated Electrons · Physics 2009-10-31 H. Kondo , S. Ishihara , S. Maekawa

Electronic excitations near the Fermi energy in the hole doped manganese oxides (La1-xSrxMnO3, x=0.2 and 0.4) have been elucidated by using the resonant inelastic x-ray scattering (RIXS) method. A doping effect in the strongly correlated…

Strongly Correlated Electrons · Physics 2007-05-23 K. Ishii , T. Inami , K. Ohwada , K. Kuzushita , J. Mizuki , Y. Murakami , S. Ishihara , Y. Endoh , S. Maekawa , K. Hirota , Y. Moritomo

While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical…

Strongly Correlated Electrons · Physics 2023-05-29 Krissia Zawadzki , Alberto Nocera , Adrian E. Feiguin

We present a non-perturbative, divergence-free series expansion of Green's functions using effective operators. The method is especially suited for computing correlators of complex operators as a series of correlation functions of simpler…

Strongly Correlated Electrons · Physics 2017-12-25 Yi Lu , Maurits W. Haverkort

Intrinsic and experimental mechanisms frequently lead to broadening of spectral features in excited-state spectroscopies. For example, intrinsic broadening occurs in x-ray absorption spectroscopy (XAS) measurements of heavy elements where…

Materials Science · Physics 2009-11-13 T. T. Fister , G. T. Seidler , J. J. Rehr , J. J. Kas , W. T. Elam , J. O. Cross , K. P. Nagle

We examine x-ray scattering from an isolated organic molecule from the linear to nonlinear absorptiveregime. In the nonlinear regime, we explore the importance of both the elastic and inelastic channelsand observe the onset of nonlinear…

Chemical Physics · Physics 2021-06-09 Phay J. Ho , Adam E. A. Fouda , Kai Li , Gilles Doumy , Linda Young

The advent of isolated and intense sub-femtosecond X-ray pulses enables tracking of quantummechanical motion of electrons in molecules and solids. The combination of X-ray spectroscopy and diffraction imaging is a powerful approach to…

Resonant inelastic X-ray scattering (RIXS) is a powerful probe of elementary excitations in solids. It is now widely applied to study magnetic excitations. However, its complex cross-section means that RIXS has been more difficult to…

Strongly Correlated Electrons · Physics 2021-06-30 H. C. Robarts , M. Garcia-Fernandez , J. Li , A. Nag , A. C. Walters , N. E. Headings , S. M. Hayden , Ke-Jin Zhou

We present a relativistic time-dependent density functional theory (TDDFT) approach for the simulation of resonant inelastic X-ray scattering (RIXS) spectra, based on both a full four-component (4c) Dirac-Coulomb Hamiltonian and a modern…

Chemical Physics · Physics 2026-04-17 Lukas Konecny , Muhammed A. Dada , Daniel R. Nascimento , Michal Repisky

Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets…

Time-resolved x-ray scattering (TRXS) measures internuclear separations in a molecule following laser-induced photoexcitation. The molecular dynamics induced by the excitation laser may lie on one or several bound or dissociative electronic…

Atomic Physics · Physics 2019-09-25 MR Ware , JM Glownia , N Al-Sayyad , JT O'Neal , PH Bucksbaum

In order to effectively improve the output quality of X-ray free electron laser (XFEL), we theoretically propose an XFEL scheme seeded by atomic inner-shell laser. As well known, an atomic inner-shell laser based on neutral atoms and pumped…

Accelerator Physics · Physics 2018-08-01 Han Zhang , Kai Li , Jiawei Yan , Haixiao Deng , Baoyuan Sun

Electron and vibrational dynamics of molecules are commonly studied by subjecting them to two interactions with a fast actinic pulse that prepares them in a nonstationary state and after a variable delay period $T$, probing them with a…

Quantum Physics · Physics 2015-03-31 Bijay Kumar Agarwalla , Hideo Ando , Konstantin E. Dorfman , Shaul Mukamel

Scattering experiments using ultrashort X-ray free electron laser (XFEL) pulses have opened a new path for structure determination of a wide variety of specimens, including nano-crystals and entire viruses, approaching atomistic spatial and…

Computational Physics · Physics 2026-04-17 Steffen Schultze , D. Russell Luke , Helmut Grubmüller

X-ray scattering is a weak linear probe of matter. It is primarily sensitive to the position of electrons and their momentum distribution. Elastic X-ray scattering forms the basis of atomic structural determination while inelastic Compton…

We demonstrate the potential of X-ray free-electron lasers (XFEL) to advancethe understanding of complex plasma dynamics by allowing for the first time nanometer and femtosecond resolution at the same time in plasma diagnostics. Plasma…