4.8 Article

Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra

Rahul V. Pinjari et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)

Article Chemistry, Physical

Wide range double photoionisation spectra of N2 and CO2

J. H. D. Eland et al.

CHEMICAL PHYSICS LETTERS (2016)

Article Chemistry, Multidisciplinary

The role of metal ions in X-ray-induced photochemistry

V. Stumpf et al.

NATURE CHEMISTRY (2016)

Article Chemistry, Physical

Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method

Meiyuan Guo et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Instruments & Instrumentation

Experimental setups for FEL-based four-wave mixing experiments at FERMI

Filippo Bencivenga et al.

JOURNAL OF SYNCHROTRON RADIATION (2016)

Article Spectroscopy

Probing chemical environment with molecular double core-hole electron spectroscopy

Osamu Takahashi et al.

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2015)

Article Spectroscopy

Double core hole spectroscopy with synchrotron radiation

F. Penent et al.

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2015)

Article Optics

Disentangling formation of multiple-core holes in aminophenol molecules exposed to bright X-FEL radiation

V. Zhaunerchyk et al.

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2015)

Article Multidisciplinary Sciences

Four-wave mixing experiments with extreme ultraviolet transient gratings

F. Bencivenga et al.

NATURE (2015)

Article Multidisciplinary Sciences

Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)5 in solution

Ph. Wernet et al.

NATURE (2015)

Article Chemistry, Physical

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

Giovanna Fronzoni et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Multidisciplinary

Adsorption Studies of p-Aminobenzoic Acid on the Anatase TiO2(101) Surface

Andrew G. Thomas et al.

LANGMUIR (2014)

Review Optics

Manipulating quantum paths for novel attosecond measurement methods

Kyung Taec Kim et al.

NATURE PHOTONICS (2014)

Article Chemistry, Multidisciplinary

Direct Observation of Molecular Orbital Mixing in a Solvated Organometallic Complex

Edlira Suljoti et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Review Chemistry, Physical

Multidimensional Attosecond Resonant X-Ray Spectroscopy of Molecules: Lessons from the Optical Regime

Shaul Mukamel et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64 (2013)

Article Chemistry, Physical

Formation and decay of core-orbital vacancies in the water molecule

M. Mucke et al.

CHEMICAL PHYSICS LETTERS (2013)

Article Chemistry, Physical

Double-core excitations in formamide can be probed by X-ray double-quantum-coherence spectroscopy

Yu Zhang et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Multiple Core and Vibronic Coupling Effects in Attosecond Stimulated X-Ray Raman Spectroscopy

Weijie Hua et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Physical

Nature of the Chemical Bond of Aqueous Fe2+ Probed by Soft X-ray Spectroscopies and ab Initio Calculations

Kaan Atak et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2013)

Article Multidisciplinary Sciences

Stimulated X-ray emission for materials science

M. Beye et al.

NATURE (2013)

Article Physics, Multidisciplinary

Dynamics of Hollow Atom Formation in Intense X-Ray Pulses Probed by Partial Covariance Mapping

L. J. Frasinski et al.

PHYSICAL REVIEW LETTERS (2013)

Article Physics, Multidisciplinary

Near-Edge X-Ray Absorption Fine Structures Revealed in Core Ionization Photoelectron Spectroscopy

M. Nakano et al.

PHYSICAL REVIEW LETTERS (2013)

Review Chemistry, Physical

Free-Electron Lasers: New Avenues in Molecular Physics and Photochemistry

Joachim Ullrich et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)

Article Chemistry, Physical

Double core-hole correlation satellite spectra of N2 and CO molecules

Motomichi Tashiro et al.

CHEMICAL PHYSICS LETTERS (2012)

Article Chemistry, Physical

Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses

Jason D. Biggs et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption

K. Lopata et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)

Article Chemistry, Physical

Single and Double Core-Hole Ionization Energies in Molecules

T. Darrah Thomas

JOURNAL OF PHYSICAL CHEMISTRY A (2012)

Article Chemistry, Physical

First-Principles Study on Core-Level Spectroscopy of Arginine in Gas and Solid Phases

Hongbao Li et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

Article Multidisciplinary Sciences

X-ray and optical wave mixing

T. E. Glover et al.

NATURE (2012)

Article Chemistry, Physical

Substitution effects on the absorption spectra of nitrophenolate isomers

Marius Wanko et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Multidisciplinary Sciences

Coherent nonlinear optical studies of elementary processes in biological complexes: diagrammatic techniques based on the wave function versus the density matrix

Jason D. Biggs et al.

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2012)

Article Chemistry, Physical

Inner-shell single and double ionization potentials of aminophenol isomers

Nikolai V. Kryzhevoi et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Physics, Multidisciplinary

Evidence of Single-Photon Two-Site Core Double Ionization of C2H2 Molecules

P. Lablanquie et al.

PHYSICAL REVIEW LETTERS (2011)

Article Physics, Multidisciplinary

Properties of Hollow Molecules Probed by Single-Photon Double Ionization

P. Lablanquie et al.

PHYSICAL REVIEW LETTERS (2011)

Article Multidisciplinary Sciences

Double-core-hole spectroscopy for chemical analysis with an intense X-ray femtosecond laser

Nora Berrah et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)

Article Chemistry, Physical

Double core-hole electron spectroscopy for open-shell molecules: Theoretical perspective

Motomichi Tashiro et al.

CHEMICAL PHYSICS LETTERS (2010)

Article Computer Science, Interdisciplinary Applications

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

M. Valiev et al.

COMPUTER PHYSICS COMMUNICATIONS (2010)

Article Chemistry, Physical

Molecular double core hole electron spectroscopy for chemical analysis

Motomichi Tashiro et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Systematic Study of Soft X-ray Spectra of Poly(Dg)•Poly(Dc) and Poly(Da)•Poly(Dt) DNA Duplexes

Weijie Hua et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Multidisciplinary Sciences

Femtosecond electronic response of atoms to ultra-intense X-rays

L. Young et al.

NATURE (2010)

Article Physics, Multidisciplinary

Auger Electron Angular Distribution of Double Core-Hole States in the Molecular Reference Frame

James P. Cryan et al.

PHYSICAL REVIEW LETTERS (2010)

Article Physics, Multidisciplinary

Double Core Hole Creation and Subsequent Auger Decay in NH3 and CH4 Molecules

J. H. D. Eland et al.

PHYSICAL REVIEW LETTERS (2010)

Review Chemistry, Multidisciplinary

Coherent Multidimensional Optical Probes for Electron Correlations and Exciton Dynamics: From NMR to X-rays

Shaul Mukamel et al.

ACCOUNTS OF CHEMICAL RESEARCH (2009)

Article Chemistry, Physical

Absorption Spectra of 4-Nitrophenolate Ions Measured in Vacuo and in Solution

Maj-Britt Suhr Kirketerp et al.

CHEMPHYSCHEM (2009)

Article Chemistry, Physical

Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states

Andrei Ipatov et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)

Article Chemistry, Physical

Ab initio calculation of interatomic decay rates of excited doubly ionized states in clusters

Premysl Kolorenc et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)

Andrew T. B. Gilbert et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Review Polymer Science

Recent progress in second-order nonlinear optical polymers and dendrimers

Min Ju Cho et al.

PROGRESS IN POLYMER SCIENCE (2008)

Article Physics, Multidisciplinary

Photoelectric effect at ultrahigh intensities

A. A. Sorokin et al.

PHYSICAL REVIEW LETTERS (2007)

Article Physics, Multidisciplinary

Coherent ultrafast core-hole correlation spectroscopy: X-ray analogues of multidimensional NMR

Igor V. Schweigert et al.

PHYSICAL REVIEW LETTERS (2007)

Review Multidisciplinary Sciences

Harnessing attosecond science in the quest for coherent X-rays

Henry Kapteyn et al.

SCIENCE (2007)

Article Chemistry, Multidisciplinary

Synthesis and characterization of charge-transfer complexes of II-Acceptor TCNQ with various phenols

Neelu Chouhan et al.

MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2007)

Article Physics, Multidisciplinary

X-ray absorption spectra of water from first principles calculations

D Prendergast et al.

PHYSICAL REVIEW LETTERS (2006)

Article Chemistry, Physical

Functional and basis set dependence of K-edge shake-up spectra of molecules

B Brena et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

The restricted active space (RAS) state interaction approach with spin-orbit coupling

PÅ Malmqvist et al.

CHEMICAL PHYSICS LETTERS (2002)