Real-Time Coupled-Cluster Approach for the Cumulant Green's Function.
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B. Peng | K. Kowalski | J. Rehr | F. Vila | J. Kas
[1] L. Reining,et al. Nonlinear response in the cumulant expansion for core-level photoemission , 2020, 2005.01857.
[2] B. Peng,et al. Equation of motion coupled-cluster cumulant approach for intrinsic losses in x-ray spectra. , 2020, The Journal of chemical physics.
[3] A. DePrince,et al. A general time-domain formulation of equation-of-motion coupled-cluster theory for linear spectroscopy. , 2019, The Journal of chemical physics.
[4] S. Krishnamoorthy,et al. Green's function coupled cluster simulation of the near-valence ionizations of DNA-fragments. , 2019, The Journal of chemical physics.
[5] David B. Williams-Young,et al. Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster. , 2019, Journal of chemical theory and computation.
[6] Chao Yang,et al. Approximate Green's Function Coupled Cluster Method Employing Effective Dimension Reduction. , 2019, Journal of chemical theory and computation.
[7] O. Marsalek,et al. Valence and Core-Level X-ray Photoelectron Spectroscopy of a Liquid Ammonia Microjet , 2019, Journal of the American Chemical Society.
[8] Thomas Bondo Pedersen,et al. Symplectic integration and physical interpretation of time-dependent coupled-cluster theory. , 2018, The Journal of chemical physics.
[9] Evgeny Epifanovsky,et al. New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States. , 2018, Journal of chemical theory and computation.
[10] B. Peng,et al. Green's function coupled cluster formulations utilizing extended inner excitations. , 2018, The Journal of chemical physics.
[11] G. Chan,et al. A Time-Dependent Formulation of Coupled-Cluster Theory for Many-Fermion Systems at Finite Temperature. , 2018, Journal of chemical theory and computation.
[12] B. Peng,et al. Green's Function Coupled-Cluster Approach: Simulating Photoelectron Spectra for Realistic Molecular Systems. , 2018, Journal of chemical theory and computation.
[13] Timothy C. Berkelbach,et al. On the Relation between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation. , 2018, Journal of chemical theory and computation.
[14] Taichi Kosugi,et al. Comparison of Green's functions for transition metal atoms using self-energy functional theory and coupled-cluster singles and doubles (CCSD). , 2018, The Journal of chemical physics.
[15] Himadri Pathak,et al. Time-dependent optimized coupled-cluster method for multielectron dynamics , 2017, 1712.09044.
[16] A. DePrince,et al. Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory. , 2017, The journal of physical chemistry letters.
[17] A. DePrince,et al. Linear Absorption Spectra from Explicitly Time-Dependent Equation-of-Motion Coupled-Cluster Theory. , 2016, Journal of chemical theory and computation.
[18] L. Reining,et al. Dynamical effects in electron spectroscopy. , 2015, The Journal of chemical physics.
[19] K. Kowalski,et al. Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians. , 2014, The Journal of chemical physics.
[20] N. Besley. Equation of motion coupled cluster theory calculations of the X-ray emission spectroscopy of water , 2012 .
[21] Thomas Fransson,et al. Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory. , 2012, Journal of chemical theory and computation.
[22] Simen Kvaal,et al. Ab initio quantum dynamics using coupled-cluster. , 2012, The Journal of chemical physics.
[23] Isaiah Shavitt,et al. Many-Body Methods in Chemistry and Physics: MBPT and Coupled-Cluster Theory , 2009 .
[24] T. Crawford,et al. An Introduction to Coupled Cluster Theory for Computational Chemists , 2007 .
[25] H. Nakatsuji,et al. High resolution O 1s photoelectron shake-up satellite spectrum of H2O , 2006 .
[26] J. Linderberg,et al. Propagators in Quantum Chemistry: Linderberg/Quantum Chemistry , 2005 .
[27] K. Wiesner,et al. Toward the spectrum of free polyethylene: linear alkanes studied by carbon 1s photoelectron spectroscopy and theory. , 2002, Journal of the American Chemical Society.
[28] Lars Hedin,et al. REVIEW ARTICLE: On correlation effects in electron spectroscopies and the GW approximation , 1999 .
[29] John F. Stanton,et al. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties , 1993 .
[30] T. Dunning,et al. Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions , 1992 .
[31] Henrik Koch,et al. Coupled cluster response functions , 1990 .
[32] T. H. Dunning. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen , 1989 .
[33] J. Arponen,et al. Variational principles and linked-cluster exp S expansions for static and dynamic many-body problems , 1983 .
[34] J. Tse,et al. Experimental and theoretical shakeup studies. III. The 1s shakeup in CH4, NH3, and H2O , 1980 .
[35] P. Bogdanovich,et al. Atomic Data and Nuclear Data Tables , 2013 .
[36] L. Hedin. Effects of Recoil on Shake-Up Spectra in Metals , 1980 .