Related references
Note: Only part of the references are listed.Diagonal orbital-invariant explicitly-correlated coupled-cluster method
David P. Tew et al.
CHEMICAL PHYSICS LETTERS (2008)
Explicitly correlated coupled cluster F12 theory with single and double excitations
Jozef Noga et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence
Andreas Koehn et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Eliminating the domain error in local explicitly correlated second-order Moller-Plesset perturbation theory
Hans-Joachim Werner
JOURNAL OF CHEMICAL PHYSICS (2008)
High-accuracy extrapolated ab initio thermochemistry.: III.: Additional improvements and overview
Michael E. Harding et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Second order coalescence conditions of molecular wave functions
David P. Tew
JOURNAL OF CHEMICAL PHYSICS (2008)
Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals:: The CCSD(T)(R12)over-bar model
Edward F. Valeev et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation
Edward F. Valeev
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Equations of explicitly-correlated coupled-cluster methods
Toru Shiozaki et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions
Oliver Marchetti et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Variational formulation of perturbative explicitly-correlated coupled-cluster methods
Martin Torheyden et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Implementation of the CCSD(T)-F12 method using cusp conditions
Denis Bokhan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
A simple and efficient CCSD(T)-F12 approximation
Thomas B. Adler et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Solving the Schrodinger equation of atoms and molecules without analytical integration based on the free iterative-complement-interaction wave function
H. Nakatsuji et al.
PHYSICAL REVIEW LETTERS (2007)
Basis set limits of the second order Moller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene
Daisuke Yamaki et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Grid-based numerical Hartree-Fock solutions of polyatomic molecules
Toru Shiozaki et al.
PHYSICAL REVIEW A (2007)
General orbital invariant MP2-F12 theory
Hans-Joachim Werner et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
New implementation of second-order Moller-Plesset perturbation theory with an analytic Slater-type geminal
Seiichiro Ten-no
JOURNAL OF CHEMICAL PHYSICS (2007)
Coupled-cluster theory in quantum chemistry
Rodney J. Bartlett et al.
REVIEWS OF MODERN PHYSICS (2007)
Quintuple-zeta quality coupled-cluster correlation energies with triple-zeta basis sets
David P. Tew et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Combining explicitly correlated R12 and Gaussian geminal electronic structure theories
Edward F. Valeev
JOURNAL OF CHEMICAL PHYSICS (2006)
Inclusion of the (T) triples correction into the linear-r12 corrected coupled-cluster model CCSD(R12)
Heike Fliegl et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
Symbolic algebra in quantum chemistry
So Hirata
THEORETICAL CHEMISTRY ACCOUNTS (2006)
R12 methods in explicitly correlated molecular electronic structure theory
Wim Klopper et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2006)
Correlation energy extrapolation by intrinsic scaling. V. Electronic energy, atomization energy, and enthalpy of formation of water
L Bytautas et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factor
FR Manby et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Explicitly correlated second-order perturbation theory using density fitting and local approximations
HJ Werner et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Alternative formulation of the matrix elements in MP2-R12 theory
S Kedzuch et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
New correlation factors for explicitly correlated electronic wave functions
DP Tew et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Benchmark correlation energies for small molecules
DP O'Neill et al.
MOLECULAR PHYSICS (2005)
Coupled-cluster theory with simplified linear-r12 corrections:: The CCSD(R12) model -: art. no. 084107
H Fliegl et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Analysis of the errors in explicitly correlated electronic structure theory
AJ May et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Improving on the resolution of the identity in linear R12 ab initio theories
EF Valeev
CHEMICAL PHYSICS LETTERS (2004)
Scaled Schrodinger equation and the exact wave function
H Nakatsuji
PHYSICAL REVIEW LETTERS (2004)
Second-order Moller-Plesset theory with linear R12 terms (MP2-R12) revisited: Auxiliary basis set method and massively parallel implementation
EF Valeev et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Explicitly correlated second order perturbation theory: Introduction of a rational generator and numerical quadratures
S Ten-no
JOURNAL OF CHEMICAL PHYSICS (2004)
Higher-order equation-of-motion coupled-cluster methods
S Hirata
JOURNAL OF CHEMICAL PHYSICS (2004)
Introduction to active thermochemical tables: Several key enthalpies of formation revisited
B Ruscic et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Initiation of explicitly correlated Slater-type geminal theory
S Ten-No
CHEMICAL PHYSICS LETTERS (2004)
Multiresolution quantum chemistry in multiwavelet bases: Hartree-Fock exchange
T Yanai et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Tensor contraction engine: Abstraction and automated parallel implementation of configuration-interaction, coupled-cluster, and many-body perturbation theories
S Hirata
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Density fitting in second-order linear-r12 Moller-Plesset perturbation theory
FR Manby
JOURNAL OF CHEMICAL PHYSICS (2003)
Explicitly correlated second-order Moller-Plesset methods with auxiliary basis sets
W Klopper et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Formulation and implementation of the full coupled-cluster method through pentuple excitations
M Musial et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
A general coupled cluster study of the N2 molecule
JW Krogh et al.
CHEMICAL PHYSICS LETTERS (2001)
Higher excitations in coupled-cluster theory
M Kállay et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
The accuracy of atomization energies from explicitly correlated coupled-cluster calculations
J Noga et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Highly accurate coupled-cluster singlet and triplet pair energies from explicitly correlated calculations in comparison with extrapolation techniques
W Klopper
MOLECULAR PHYSICS (2001)
Computing coupled-cluster wave functions with arbitrary excitations
M Kállay et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Explicitly correlated R12 coupled cluster calculations for open shell systems
J Noga et al.
CHEMICAL PHYSICS LETTERS (2000)
High-order coupled-cluster calculations through connected octuple excitations
S Hirata et al.
CHEMICAL PHYSICS LETTERS (2000)
Share Paper
