Coupled cluster

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Wavefunction ansatz

Hamiltonian Ground state Excited states Linear-response Equation-of-motion

16 related topics

General description of the theory

Schrödinger equation Basis set Born–Oppenheimer approximation Kato cusp Resolution of the identity

11 related topics

Overview

Many-body systems Post-Hartree–Fock Ab initio quantum chemistry methods Computational chemistry Nuclear physics

19 related topics

Cluster operator

Second quantization Creation and annihilation operators Normal order Taylor series MP2

8 related topics

Topics to explore

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Overview

Many-body systems Many-body system
Post-Hartree–Fock
Ab initio quantum chemistry methods
Computational chemistry
Nuclear physics
Hartree–Fock
Molecular orbital
Electron correlation Electronic correlation
Fritz Coester Fritz Coester?action=edit&redlink=1
Arz فريتز كويستير
De Fritz Coester (Physiker)
Hermann Kümmel Hermann Kümmel?action=edit&redlink=1
De Hermann Kümmel
Jiří Čížek
Josef Paldus
Atoms
Molecules
Quantum chemistry
Oktay Sinanoğlu

Wavefunction ansatz

Hamiltonian Molecular Hamiltonian
Ground state
Excited states Excited state
Linear-response Linear response coupled-cluster?action=edit&redlink=1
Equation-of-motion Equation-of-motion coupled cluster?action=edit&redlink=1
State-universal multi-reference State-universal coupled cluster
Valence-universal multi-reference coupled cluster Valence-universal multi-reference coupled cluster?action=edit&redlink=1
Ansatz
Slater determinant
Configuration interaction
Multi-configurational self-consistent field
Brueckner orbitals Brueckner orbitals?action=edit&redlink=1
Linear combination
Size extensivity
Size consistency
Variational Variational principle

Cluster operator

Second quantization
Creation and annihilation operators Creation and annihilation operator
Normal order
Taylor series
MP2 Møller–Plesset perturbation theory
Franck–Condon Franck–Condon principle
Diradical
Non-linear Nonlinearity

Coupled-cluster equations

Valence bond Valence bond theory
Baker–Campbell–Hausdorff formula
Left and right vectors Eigenvalues and eigenvectors
GAMESS (US)
NWChem
ACES II ACES (computational chemistry)
Jacobi method
DIIS

Types of coupled-cluster methods

Perturbation theory
Many-body perturbation theory Perturbation theory (quantum mechanics)

General description of the theory

Schrödinger equation
Basis set Basis set (chemistry)
Born–Oppenheimer approximation
Kato cusp Kato cusp?action=edit&redlink=1
Resolution of the identity
Single-reference Single-reference?action=edit&redlink=1
Multi-reference Multi-reference?action=edit&redlink=1
Hilbert space
Valence-universal coupled cluster Valence-universal coupled cluster?action=edit&redlink=1
Fock space
State-selective coupled cluster State-selective coupled cluster?action=edit&redlink=1

Use in nuclear physics

Three-nucleon interactions Three-body force
Ab initio methods Ab initio methods (nuclear physics)
Shells Nuclear shell model

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Map overview Semantic statistics

Nodes75

Edges74

Triples19

Avg. degree1.97

Density0.026667

Components1

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Coupled cluster

Top relations

related to Wavefunction ansatz · 4

Coupled cluster → Coupled-cluster, Hamiltonian, Psi, Schrödinger

related to Use in nuclear physics · 3

Coupled cluster → Coupled, In, More

has method · 2

Coupled cluster → CC, The

Important terminology Word statistics

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Important terminology

displaystyle cluster theory method coupled-cluster operator also function wave coupled methods rangle used cc chemistry equations one correlation physics exponential

Entity relationships Subject–Predicate–Object triples

Subject	Predicate	Object	Confidence	Src
configuration interaction	instance of	though other wave functions	0.80	text
multi-configurational self-consistent field	instance of	though other wave functions	0.80	text
or Brueckner orbitals can also be used	instance of	though other wave functions	0.80	text
lack of size extensivity	instance of	and thus does not suffer from issues	0.80	text
like the variational configuration-interaction approach	instance of	and thus does not suffer from issues	0.80	text
bond breaking	instance of	but breaks down in more complicated situations	0.80	text
diradicals	instance of	but breaks down in more complicated situations	0.80	text
CCSDT	instance of	More complicated coupled-cluster methods	0.80	text
CCSDTQ are used only for high-accuracy calculations of small molecules	instance of	More complicated coupled-cluster methods	0.80	text
CCSD-R12	instance of	One possible improvement to the standard coupled-cluster approach is to add terms linear in the interelectronic distances through methods	0.80	text
Coupled cluster	has method	The	0.60	section
Coupled cluster	has method	CC	0.60	section

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Wavefunction ansatz

General description of the theory

Overview

Cluster operator

Key facts & relationships

Topics to explore

Overview

Wavefunction ansatz

Cluster operator

Coupled-cluster equations

Types of coupled-cluster methods

General description of the theory

Use in nuclear physics

Advanced semantic analysis

Map overview Semantic statistics

Coupled cluster

How this topic connects Entity context

Coupled cluster

Top relations

Important terminology Word statistics

Important terminology

Entity relationships Subject–Predicate–Object triples

Related concept clusters Concept neighborhoods

Connections between topic areas Semantic bridges