相关论文: Efficient core-excited state orbital perspective o…

We present an equation of motion coupled cluster approach for calculating and understanding intrinsic inelastic losses in core level x-ray absorption spectra (XAS). The method is based on a factorization of the transition amplitude in the…

The combination of Maxwell and X-ray Bloch equations forms an appropriate framework to describe ultrafast time-resolved X-ray experiments on attosecond time scale in crystalline solids. However, broadband experiments such as X-ray…

The development of medium-energy inelastic X-ray scattering (IXS) optics with meV and sub-meV resolution has attracted considerable efforts in recent years. Meanwhile, there are also concerns or debates about the fundamental and feasibility…

Recent seminal experiments have utilized time-resolved X-ray absorption spectroscopy (XAS) to investigate the ultrafast photo-induced renormalization of the electron interaction (''Hubbard $U$'') in Mott and charge transfer insulators. In…

In this study, we utilize the many-body expansion (MBE) framework to decompose electronic structures into fragments by incrementing the virtual orbitals. Our work aims to accurately solve the ground and excited state energies of each…

Many remarkable properties of quantum materials emerge from states with intricate coupling between the charge, spin and orbital degrees of freedom. Ultrafast photo-excitations of these materials hold great promise for understanding and…

Accurate decomposition of the mixed Mn oxidation states is highly important for characterizing the electronic structures, charge transfer, and redox centers for electronic, electrocatalytic, and energy storage materials that contain Mn.…

Phase transitions driven by ultrashort laser pulses have attracted interest both for understanding the fundamental physics of phase transitions and for potential new data storage or device applications. In many cases these transitions…

X-ray cavity quantum optics with inner-shell transitions has been hindered by the overlap between resonant and continuum states. Here, we report the first experimental demonstration of cavity-controlled co-to-core resonant inelastic x-ray…

Development of materials for electrochemical energy conversion requires a deep understanding of the factors governing chemical and physical rates at submicron length scales. Many workers have sought to develop chemically sensitive in situ…

Resonant inelastic x-ray scattering (RIXS) is a well-established tool for studying electronic, nuclear and collective dynamics of excited atoms, molecules and solids. An extension of this powerful method to a time-resolved probe technique…

We present a hybrid approach for GW/Bethe-Salpeter Equation (BSE) calculations of core excitation spectra, including x-ray absorption (XAS), electron energy loss spectra (EELS), and non-resonant inelastic x-ray scattering (NRIXS). The…

X-ray absorption fine structure (XAFS) and x-ray emission spectroscopy (XES) are advanced x-ray spectroscopies that impact a wide range of disciplines. However, unlike the majority of other spectroscopic methods, XAFS and XES are…

Multiexcitons (MXs) in quantum dots (QDs) manifest many body interactions under quantum confinement. Beyond this fundamental interest, MXs are of importance in numerous optoelectronic applications including QD lasing, light emitting diodes…

Using a recently developed impurity solver we exemplify how dynamical mean field theory captures band excitations, resonances, edge singularities and excitons in core level x-ray absorption (XAS) and core level photo electron spectroscopy…

This paper explores an integrated sensing and communication (ISAC) network empowered by multiple active simultaneously transmitting and reflecting reconfigurable intelligent surfaces (STAR-RISs). A base station (BS) furnishes downlink…

To fully capitalize on the potential and versatility of resonant inelastic x-ray scattering (RIXS), it is essential to develop the capability to interpret different RIXS contributions through calculations, including the dependence on…

X-ray absorption spectroscopy (XAS) has gained popularity in recent years as it probes matter with high spatial and elemental sensitivity. However, the theoretical modelling of XAS is a challenging task since XAS spectra feature a fine…

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…

Transient X-ray spectroscopies have become ubiquitous in studying photoexcited dynamics in solar energy materials due to their sensitivity to carrier occupations and local chemical or structural dynamics. The interpretation of solid-state…