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。Full-frequency dynamical Bethe-Salpeter equation without frequency and a study of double excitations
Sylvia J. Bintrim et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
Static and dynamic Bethe-Salpeter equations in the T-matrix approximation
Pierre-Francois Loos et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
Unphysical discontinuities, intruder states and regularization in GW methods
Enzo Monino et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
An optimally tuned range-separated hybrid starting point for ab initio GW plus Bethe-Salpeter equation calculations of molecules
Caroline A. A. McKeon et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
Modeling of excited state potential energy surfaces with the Bethe-Salpeter equation formalism: The 4-(dimethylamino)benzonitrile twist
Iryna Knysh et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
Full-frequency GW without frequency
Sylvia J. Bintrim et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Excited-State Geometry Optimization of Small Molecules with Many-Body Green's Functions Theory
Onur Caylak et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Potential Energy Surfaces without Unphysical Discontinuities: The Coulomb Hole Plus Screened Exchange Approach
J. Arjan Berger et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
The GW Miracle in Many-Body Perturbation Theory for the Ionization Potential of Molecules
Fabien Bruneval et al.
FRONTIERS IN CHEMISTRY (2021)
Scrutinizing GW-Based Methods Using the Hubbard Dimer
S. Di Sabatino et al.
FRONTIERS IN CHEMISTRY (2021)
Reference Energies for Intramolecular Charge-Transfer Excitations
Pierre-Francois Loos et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Cubic-Scaling All-Electron GW Calculations with a Separable Density-Fitting Space-Time Approach
Ivan Duchemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Spin-Conserved and Spin-Flip Optical Excitations from the Bethe-Salpeter Equation Formalism
Enzo Monino et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Variational coupled cluster for ground and excited states
Antoine Marie et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster
Fabris Kossoski et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Renormalized Singles Green's Function in the T-Matrix Approximation for Accurate Quasiparticle Energy Calculation
Jiachen Li et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)
Low-Order Scaling Quasiparticle Self-Consistent GW for Molecules
Arno Forster et al.
FRONTIERS IN CHEMISTRY (2021)
Hydrogen-molecule spectrum by the many-body GW approximation and the Bethe-Salpeter equation
Jing Li et al.
PHYSICAL REVIEW A (2021)
All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals
Chi Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Robust Analytic-Continuation Approach to Many-Body GW Calculations
Ivan Duchemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies
Pierre-Francois Loos et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
The Bethe-Salpeter Equation Formalism: From Physics to Chemistry
Xavier Blase et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation
Pierre-Francois Loos et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
A route to improving RPA excitation energies through its connection to equation-of-motion coupled cluster theory
Varun Rishi et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Dynamical kernels for optical excitations
Juliette Authier et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Low-Order Scaling G0W0 by Pair Atomic Density Fitting
Arno Forster et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Ground-state correlation energy of beryllium dimer by the Bethe-Salpeter equation
Jing Li et al.
SCIPOST PHYSICS (2020)
Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA
Ivan Duchemin et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
Dorothea Golze et al.
FRONTIERS IN CHEMISTRY (2019)
Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states
Joonho Lee et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
The GW approximation: content, successes and limitations
Lucia Reining
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
Perspective: Multireference coupled cluster theories of dynamical electron correlation
Francesco A. Evangelista
JOURNAL OF CHEMICAL PHYSICS (2018)
Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe-Salpeter Formalism
Xin Gui et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Green Functions and Self-Consistency: Insights From the Spherium Model
Pierre-Francois Loos et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
On the Relation between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation
Malte F. Lange et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Communication: A hybrid Bethe-Salpeter/time-dependent density-functional-theory approach for excitation energies
Christof Holzer et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Communication: Random-phase approximation excitation energies from approximate equation-of-motion coupled-cluster doubles
Timothy C. Berkelbach
JOURNAL OF CHEMICAL PHYSICS (2018)
Bethe-Salpeter correlation energies of atoms and molecules
Christof Holzer et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Implementation of the Bethe-Salpeter Equation in the TURBOMOLE Program
Katharina Krause et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2017)
An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation
Tonatiuh Rangel et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
One-particle many-body Green's function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms
So Hirata et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Benchmark of Bethe-Salpeter for Triplet Excited-States
Denis Jacquemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle-Particle Random Phase Approximation
Du Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Is the Bethe-Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD
Denis Jacquemin et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes
Tonatiuh Rangel et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Quasi-Particle Self-Consistent GW for Molecules
F. Kaplan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
The uniform electron gas
Pierre-Francois Loos et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2016)
A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules
Fabien Bruneval et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
General-Order Many-Body Green's Function Method
So Hirata et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds
Denis Jacquemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Benchmarking the Bethe-Salpeter Formalism on a Standard Organic Molecular Set
Denis Jacquemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Local Hamiltonians for quantitative Green's function embedding methods
Alexander A. Rusakov et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory
Jordan J. Phillips et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe-Salpeter Approach
Paul Boulanger et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles
Degao Peng et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory
Gustavo E. Scuseria et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Electron propagator theory: an approach to prediction and interpretation in quantum chemistry
Joseph Vincent Ortiz
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2013)
Multireference Nature of Chemistry: The Coupled-Cluster View
Dmitry I. Lyakh et al.
CHEMICAL REVIEWS (2012)
Random-phase approximation and its applications in computational chemistry and materials science
Xinguo Ren et al.
JOURNAL OF MATERIALS SCIENCE (2012)
Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach
X. Blase et al.
APPLIED PHYSICS LETTERS (2011)
Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach
Janos G. Angyan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
All-electron GW methods implemented in molecular orbital space: Ionization energy and electron affinity of conjugated molecules
San-Huang Ke
PHYSICAL REVIEW B (2011)
Ab initio calculations of optical absorption spectra: Solution of the Bethe-Salpeter equation within density matrix perturbation theory
Dario Rocca et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions
Georg Jansen et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Multiple Solutions to the Single-Reference CCSD Equations for NiH
Nicholas J. Mayhall et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Double excitations in finite systems
P. Romaniello et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach
Gustavo E. Scuseria et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Developing the random phase approximation into a practical post-Kohn-Sham correlation model
Filipp Furche
JOURNAL OF CHEMICAL PHYSICS (2008)
Coupled-cluster theory in quantum chemistry
Rodney J. Bartlett et al.
REVIEWS OF MODERN PHYSICS (2007)
Fluctuation-dissipation theorem density-functional theory
F Furche et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Equation-of-motion coupled cluster method with full inclusion of connected triple excitations for electron-attached states: EA-EOM-CCSDT
M Musial et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Ab initio calculation of the electronic and optical properties of solid pentacene -: art. no. 115212
ML Tiago et al.
PHYSICAL REVIEW B (2003)
Equation-of-motion coupled cluster method with full inclusion of the connected triple excitations for ionized states: IP-EOM-CCSDT
M Musial et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches
P Piecuch et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2002)
Suppression of electron-hole correlations in 3D polymer materials
P Puschnig et al.
PHYSICAL REVIEW LETTERS (2002)
Extended similarity transformed equation-of-motion coupled cluster theory (extended-STEOM-CC): Applications to doubly excited states and transition metal compounds
M Nooijen et al.
JOURNAL OF CHEMICAL PHYSICS (2000)