Higher-order equation-of-motion coupled-cluster methods.
about
High-order electron-correlation methods with scalar relativistic and spin-orbit corrections.Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals.Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle-2-hole and 4-hole-2-particle excitations and their active-space extensions.General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: implementation and application to ScH.Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions.The numerical condition of electron correlation theories when only active pairs of electrons are spin-unrestricted.Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations.Approximate treatment of higher excitations in coupled-cluster theory.Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations.Charge-transfer separability and size-extensivity in the equation-of-motion coupled cluster method: EOM-CCx.Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions.Computerized implementation of higher-order electron-correlation methods and their linear-scaling divide-and-conquer extensions.Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians.Hybrid coupled cluster and molecular dynamics approach: application to the excitation spectrum of cytosine in the native DNA environment.Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.Equation-of-motion coupled cluster method for the description of the high spin excited states.Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective.Second- and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states.Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C60 and C70.Explicitly intruder-free valence-universal multireference coupled cluster theory as applied to ionization spectroscopy.Adaptive multiconfigurational wave functions.Equation-of-motion coupled cluster method for high spin double electron attachment calculations.Reliable modeling of the electronic spectra of realistic uranium complexes.Multireference equation-of-motion coupled cluster theory.The equation-of-motion coupled cluster method for triple electron attached states.Active-space coupled-cluster study of electronic states of Be3.Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling.Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition.Implementation of the locally renormalized CCSD(T) approaches for arbitrary reference function.Third- and fourth-order perturbation corrections to excitation energies from configuration interaction singles.Quantitative prediction of gas-phase (15)N and (31)P nuclear magnetic shielding constants.Excited and ionized states of the ozone molecule with full triples coupled cluster methods.Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory.Nested variant of the method of moments of coupled cluster equations for vertical excitation energies and excited-state potential energy surfaces.Generating functionals based formulation of the method of moments of coupled cluster equations.Higher-order explicitly correlated coupled-cluster methods.
P2860
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P2860
Higher-order equation-of-motion coupled-cluster methods.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
@wuu
2004年学术文章
@zh
2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
2004年學術文章
@yue
2004年學術文章
@zh-hant
name
Higher-order equation-of-motion coupled-cluster methods.
@en
Higher-order equation-of-motion coupled-cluster methods.
@nl
type
label
Higher-order equation-of-motion coupled-cluster methods.
@en
Higher-order equation-of-motion coupled-cluster methods.
@nl
prefLabel
Higher-order equation-of-motion coupled-cluster methods.
@en
Higher-order equation-of-motion coupled-cluster methods.
@nl
P356
P1476
Higher-order equation-of-motion coupled-cluster methods.
@en
P2093
P356
10.1063/1.1753556
P407
P577
2004-07-01T00:00:00Z