Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source
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journal
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January 2016 |
Calculating X-ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator
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journal
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September 2014 |
Coupled cluster response functions
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journal
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September 1990 |
Polarization propagator methods in atomic and molecular calculations
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journal
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November 1984 |
Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
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journal
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January 2001 |
Linear complex polarization propagator in a four-component Kohn–Sham framework
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journal
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August 2010 |
Accelerated Broadband Spectra Using Transition Dipole Decomposition and Padé Approximants
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journal
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July 2016 |
Many – Body Methods in Chemistry and Physics
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book
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January 2009 |
Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption
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journal
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August 2012 |
A Systematic K-edge X-ray Absorption Spectroscopic Study of Cu(III) Sites
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journal
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June 2000 |
Single-Reference ab initio Methods for the Calculation of Excited States of Large Molecules
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journal
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January 2006 |
An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
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journal
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November 1998 |
Time-dependent density functional theory calculations of the spectroscopy of core electrons
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journal
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January 2010 |
Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy
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July 2016 |
Structure preserving parallel algorithms for solving the Bethe–Salpeter eigenvalue problem
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journal
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January 2016 |
Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations
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journal
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December 2011 |
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
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journal
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May 1993 |
Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator
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journal
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August 2014 |
Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory
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journal
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December 2013 |
Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules
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journal
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February 2012 |
Time-Dependent Hartree—Fock Theory for Molecules
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journal
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July 1964 |
Generalizations of Davidson’s Method for Computing Eigenvalues of Sparse Symmetric Matrices
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journal
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July 1986 |
Time dependent density functional theory of core electrons excitations
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journal
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May 2003 |
Carbon X-ray absorption spectra of fluoroethenes and acetone: A study at the coupled cluster, density functional, and static-exchange levels of theory
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journal
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March 2013 |
Ab initio time-resolved density functional theory for lifetimes of excited adsorbate states at metal surfaces
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journal
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May 2007 |
Response functions from Fourier component variational perturbation theory applied to a time-averaged quasienergy
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journal
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January 1998 |
Minimization Principles for the Linear Response Eigenvalue Problem I: Theory
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journal
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January 2012 |
Description of the Ground-State Covalencies of the Bis(dithiolato) Transition-Metal Complexes from X-ray Absorption Spectroscopy and Time-Dependent Density-Functional Calculations
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journal
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March 2007 |
Fundamentals of Time-Dependent Density Functional Theory
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book
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January 2012 |
Capturing a Photoexcited Molecular Structure Through Time-Domain X-ray Absorption Fine Structure
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journal
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April 2001 |
A Polarization Propagator for Nonlinear X-ray Spectroscopies
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journal
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May 2016 |
Molecular Orientation in Polymer Films for Organic Solar Cells Studied by NEXAFS
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journal
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February 2012 |
Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
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journal
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November 2005 |
Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver
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journal
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January 2018 |
Ligand K-edge x-ray absorption spectroscopic studies: metal-ligand covalency in a series of transition metal tetrachlorides
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journal
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March 1995 |
A direct algorithm for self‐consistent‐field linear response theory and application to C 60 : Excitation energies, oscillator strengths, and frequency‐dependent polarizabilities
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journal
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July 1993 |
Oscillator Strengths and Rotational Strengths in Hartree–Fock Theory
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journal
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May 1969 |
Calibration of Energy-Specific TDDFT for Modeling K-edge XAS Spectra of Light Elements
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journal
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June 2015 |
Solution of the large matrix equations which occur in response theory
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journal
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February 1988 |
A numerically stable, structure preserving method for computing the eigenvalues of real Hamiltonian or symplectic pencils
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journal
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January 1998 |
Time-dependent Hartree-Fock theory
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journal
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January 1964 |
Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K -edge X-ray Absorption Spectroscopy
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journal
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August 2015 |
Complex Polarization Propagator Approach in the Restricted Open-Shell, Self-Consistent Field Approximation: The Near K -Edge X-ray Absorption Fine Structure Spectra of Allyl and Copper Phthalocyanine
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journal
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May 2011 |
Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory
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journal
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January 2015 |
Calculation of properties with the coupled-cluster method
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journal
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January 1977 |
The equation-of-motion coupled-cluster method. Applications to open- and closed-shell reference states
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journal
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May 1993 |
Energy-Specific Linear Response TDHF/TDDFT for Calculating High-Energy Excited States
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journal
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October 2011 |
K- and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory
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journal
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January 2016 |
Generalizations of davidson's method for computing eigenvalues of large nonsymmetric matrices
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journal
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August 1992 |
Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory
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journal
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April 2012 |
Orientation of aromatic hydrocarbons on metal surfaces as determined by nexafs
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journal
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October 1987 |
New algorithms for iterative matrix-free eigensolvers in quantum chemistry
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journal
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December 2014 |
Implementation of the GMRES Method Using Householder Transformations
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journal
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January 1988 |
The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
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journal
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January 1975 |
Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT
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journal
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October 2015 |
Some applications of excited-state-excited-state transition densities
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journal
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April 1975 |
Efficient first-principles electronic dynamics
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journal
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May 2011 |
Time-Dependent Density Functional Response Theory for Molecules
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book
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November 1995 |