4.7 Review

Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Ionization energies of water from PNO-CI calculations

Wilfried Meyer

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)

Review Chemistry, Physical

A comparative study of single reference correlation methods of the coupled-pair type

Frank Wennmohs et al.

CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

The limits of local correlation theory: Electronic delocalization and chemically smooth potential energy surfaces

Joseph E. Subotnik et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Double-hybrid functionals for thermochemical kinetics

Alex Tarnopolsky et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Article Chemistry, Physical

Basis set limit coupled cluster study of h-bonded systems and assessment of more approximate methods

A. Daniel Boese et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

Article Chemistry, Physical

Parallel calculation of coupled cluster singles and doubles wave functions using array files

Tomasz Janowski et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)

Article Chemistry, Organic

How to compute isomerization energies of organic molecules with quantum chemical methods

Stefan Grimme et al.

JOURNAL OF ORGANIC CHEMISTRY (2007)

Article Chemistry, Physical

Calculation of smooth potential energy surfaces using local electron correlation methods

Ricardo A. Mata et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

Amir Karton et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Biochemistry & Molecular Biology

A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry

Frank Neese

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY (2006)

Article Chemistry, Physical

Orbital invariant single-reference coupled electron pair approximation with extensive renormalized triples correction

Marcel Nooijen et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2006)

Article Chemistry, Physical

Dynamically screened local correlation method using enveloping localized orbitals

Alexander A. Auer et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

HEAT:: High accuracy extrapolated ab initio thermochemistry

A Tajti et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Potential energy surface discontinuities in local correlation methods

NJ Russ et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Gaussian basis sets of quadruple zeta valence quality for atoms H-Kr

F Weigend et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

Local treatment of electron excitations in the EOM-CCSD method

T Korona et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

Linear scaling local coupled cluster theory with density fitting. Part I: 4-external integrals

M Schutz et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

A new, fast, semi-direct implementation of linear scaling local coupled cluster theory

M Schutz

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)

Article Chemistry, Physical

Analytical energy gradients for local coupled-cluster methods

G Rauhut et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

Local perturbative triples correction (T) with linear cost scaling

M Schütz et al.

CHEMICAL PHYSICS LETTERS (2000)