Related references
Note: Only part of the references are listed.Communication: Second-order multireference perturbation theory with explicit correlation: CASPT2-F12
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Variational geminal-augmented multireference self-consistent field theory: Two-electron systems
Sergey A. Varganov et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12
Christof Haettig et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Evaluation of Slater-type geminal integrals using tailored Gaussian quadrature
Toru Shiozaki
CHEMICAL PHYSICS LETTERS (2009)
Local explicitly correlated coupled-cluster methods: Efficient removal of the basis set incompleteness and domain errors
Thomas B. Adler et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Explicitly correlated combined coupled-cluster and perturbation methods
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Universal perturbative explicitly correlated basis set incompleteness correction
Martin Torheyden et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory
Andreas Koehn
JOURNAL OF CHEMICAL PHYSICS (2009)
Higher-order explicitly correlated coupled-cluster methods
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Explicitly correlated connected triple excitations in coupled-cluster theory
Andreas Koehn
JOURNAL OF CHEMICAL PHYSICS (2009)
Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory
Guntram Rauhut et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Local explicitly correlated second-order perturbation theory for the accurate treatment of large molecules
Thomas B. Adler et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Simplified CCSD(T)-F12 methods: Theory and benchmarks
Gerald Knizia et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Accurate Calculations of Intermolecular Interaction Energies Using Explicitly Correlated Coupled Cluster Wave Functions and a Dispersion-Weighted MP2 Method
Oliver Marchetti et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Assessment of basis sets for F12 explicitly-correlated molecular electronic-structure methods
Florian A. Bischoff et al.
MOLECULAR PHYSICS (2009)
Diagonal orbital-invariant explicitly-correlated coupled-cluster method
David P. Tew et al.
CHEMICAL PHYSICS LETTERS (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)
Optimized auxiliary basis sets for explicitly correlated methods
Kazim E. Yousaf et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B-Ne, and Al-Ar
Kirk A. Peterson et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Explicitly correlated RMP2 for high-spin open-shell reference states
Gerald Knizia et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The barrier height of the F+H2 reaction revisited:: Coupled-cluster and multireference configuration-interaction benchmark calculations
Hans-Joachim Werner et al.
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)
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)
A simple and efficient CCSD(T)-F12 approximation
Thomas B. Adler et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
New ab initio potential energy surfaces for the F+H2 reaction
Guoliang Li et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
A simple F12 geminal correction in multi-reference perturbation theory
Seiichiro Ten-no
CHEMICAL PHYSICS LETTERS (2007)
Breakdown of the Born-Oppenheimer approximation in the F+o-D2→DF+D reaction
Li Che et al.
SCIENCE (2007)
Second order explicitly correlated R12 theory revisited: A second quantization framework for treatment of the operators' partitionings
Jozef Noga et al.
JOURNAL OF CHEMICAL PHYSICS (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)
Quintuple-zeta quality coupled-cluster correlation energies with triple-zeta basis sets
David P. Tew et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Extensions of r12 corrections to CC2-R12 for excited states
Christian Neiss 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)
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)
Explicitly correlated second order perturbation theory: Introduction of a rational generator and numerical quadratures
S Ten-no
JOURNAL OF CHEMICAL PHYSICS (2004)
Initiation of explicitly correlated Slater-type geminal theory
S Ten-No
CHEMICAL PHYSICS LETTERS (2004)
Density fitting for the decomposition of three-electron integrals in explicitly correlated electronic structure theory
S Ten-no et al.
JOURNAL OF CHEMICAL PHYSICS (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)
Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations
F Weigend et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
A fully direct RI-HF algorithm: Implementation, optimised auxiliary basis sets, demonstration of accuracy and efficiency
F Weigend
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Multireference perturbation theory for large restricted and selected active space reference wave functions
P Celani et al.
JOURNAL OF CHEMICAL PHYSICS (2000)