4.7 Article

Explicitly correlated Wn theory: W1-F12 and W2-F12

Related references

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

Theoretical reference values for the AE6 and BH6 test sets from explicitly correlated coupled-cluster theory

Robin Haunschild et al.

THEORETICAL CHEMISTRY ACCOUNTS (2012)

Article Chemistry, Physical

Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges

Kirk A. Peterson et al.

THEORETICAL CHEMISTRY ACCOUNTS (2012)

Article Chemistry, Multidisciplinary

Explicitly correlated electronic structure theory from R12/F12 ansatze

Seiichiro Ten-no et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Physical

On the effectiveness of CCSD(T) complete basis set extrapolations for atomization energies

David Feller et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Review Chemistry, Multidisciplinary

Gn theory

Larry A. Curtiss et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)

Article Chemistry, Multidisciplinary

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2010

William Acree et al.

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2010)

Article Chemistry, Physical

Accurate computational thermochemistry from explicitly correlated coupled-cluster theory

Wim Klopper et al.

THEORETICAL CHEMISTRY ACCOUNTS (2010)

Article Thermodynamics

Enthalpies of Formation of DNA and RNA Nucleobases from G3X Theory

Olga V. Dorofeeva et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2009)

Article Chemistry, Physical

Simplified CCSD(T)-F12 methods: Theory and benchmarks

Gerald Knizia et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Unrestricted Coupled Cluster and Brueckner Doubles Variations of W1 Theory

Ericka C. Barnes et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Chemistry, Physical

Economical Post-CCSD(T) Computational Thermochemistry Protocol and Applications to Some Aromatic Compounds

Amir Karton et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

Article Chemistry, Physical

Optimized auxiliary basis sets for explicitly correlated methods

Kazim E. Yousaf et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

High-accuracy extrapolated ab initio thermochemistry.: III.: Additional improvements and overview

Michael E. Harding et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

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)

Article Chemistry, Physical

Explicitly correlated RMP2 for high-spin open-shell reference states

Gerald Knizia et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Review Chemistry, Physical

Quantitative quantum chemistry

Trygve Helgaker et al.

MOLECULAR PHYSICS (2008)

Article Chemistry, Physical

A simple and efficient CCSD(T)-F12 approximation

Thomas B. Adler et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Basis set convergence of post-CCSD contributions to molecular atomization energies

Amir Karton et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Perturbative treatment of the electron-correlation contribution to the diagonal Born-Oppenheimer correction

Attila Tajti et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

General orbital invariant MP2-F12 theory

Hans-Joachim Werner et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

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)

Review Chemistry, Physical

The correlation-consistent composite approach: Application to the G3/99 test set

Nathan J. DeYonker et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Review Chemistry, Physical

The correlation consistent composite approach (ccCA):: An alternative to the Gaussian-n methods

NJ DeYonker et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Accurate Coulomb-fitting basis sets for H to Rn

F Weigend

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Active thermochemical tables: Accurate enthalpy of formation of hydroperoxyl radical, HO2

B Ruscic et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Article Chemistry, Physical

W3 theory:: Robust computational thermochemistry in the kJ/mol accuracy range

AD Boese et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Improving on the resolution of the identity in linear R12 ab initio theories

EF Valeev

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

HEAT:: High accuracy extrapolated ab initio thermochemistry

A Tajti et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Review Chemistry, Physical

Introduction to active thermochemical tables: Several key enthalpies of formation revisited

B Ruscic et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Review Chemistry, Multidisciplinary

The energetics of aromatic hydrocarbons: An experimental thermochemical perspective

SW Slayden et al.

CHEMICAL REVIEWS (2001)