Analysis of double-hybrid density functionals along the adiabatic connection

Communication: One third: A new recipe for the PBE0 paradigm

(2013) Ciro A. Guido et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarking density-functional theory calculations of NMR shielding constants and spin–rotation constants using accurate coupled-cluster calculations

(2013) Andrew M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

A multiconfigurational hybrid density-functional theory

(2012) Kamal Sharkas et al.   JOURNAL OF CHEMICAL PHYSICS

Note: Theoretical mixing coefficients for hybrid functionals

(2012) Pietro Cortona   JOURNAL OF CHEMICAL PHYSICS

Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0

(2012) Igor Ying Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Dispersion interactions in density-functional theory: An adiabatic-connection analysis

(2011) Marie D. Strømsheim et al.   JOURNAL OF CHEMICAL PHYSICS

Double-hybrid density-functional theory made rigorous

(2011) Kamal Sharkas et al.   JOURNAL OF CHEMICAL PHYSICS

Analysis of self-consistency effects in range-separated density-functional theory with Møller-Plesset perturbation theory

(2011) Emmanuel Fromager et al.   JOURNAL OF CHEMICAL PHYSICS

Rigorous formulation of two-parameter double-hybrid density-functionals

(2011) Emmanuel Fromager   JOURNAL OF CHEMICAL PHYSICS

Seeking for parameter-free double-hybrid functionals: The PBE0-DH model

(2011) Eric Brémond et al.   JOURNAL OF CHEMICAL PHYSICS

A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

(2011) I. Y. Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Accurate calculation and modeling of the adiabatic connection in density functional theory

(2010) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

Range-dependent adiabatic connections

(2010) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration

(2010) Henk Eshuis et al.   JOURNAL OF CHEMICAL PHYSICS

Random phase approximation correlation energies with exact Kohn–Sham exchange

(2010) Andreas Heßelmann et al.   MOLECULAR PHYSICS

Merging multireference perturbation and density-functional theories by means of range separation: Potential curves forBe2,Mg2, andCa2

(2010) Emmanuel Fromager et al.   PHYSICAL REVIEW A

Assessment of double-hybrid energy functionals for π-conjugated systems

(2009) J. C. Sancho-García et al.   JOURNAL OF CHEMICAL PHYSICS

Development and assessment of a short-range meta-GGA functional

(2009) Erich Goll et al.   JOURNAL OF CHEMICAL PHYSICS

The calculation of adiabatic-connection curves from full configuration-interaction densities: Two-electron systems

(2009) A. M. Teale et al.   JOURNAL OF CHEMICAL PHYSICS

On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f[sup 0] actinide species

(2009) Emmanuel Fromager et al.   JOURNAL OF CHEMICAL PHYSICS

Making the random phase approximation to electronic correlation accurate

(2009) Andreas Grüneis et al.   JOURNAL OF CHEMICAL PHYSICS

Long-range-corrected hybrids including random phase approximation correlation

(2009) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation

(2009) Julien Toulouse et al.   PHYSICAL REVIEW LETTERS

Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics

(2009) Y. Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Wigner’s (2n + 1) rule for nonlinear Schrödinger equations

(2008) János G. Ángyán   JOURNAL OF MATHEMATICAL CHEMISTRY

Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics†

(2008) Amir Karton et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Rayleigh-Schrödinger many-body perturbation theory for density functionals: A unified treatment of one- and two-electron perturbations

(2008) János G. Ángyán   PHYSICAL REVIEW A

Self-consistent many-body perturbation theory in range-separated density-functional theory: A one-electron reduced-density-matrix-based formulation

(2008) Emmanuel Fromager et al.   PHYSICAL REVIEW A

Double-Hybrid Functionals for Thermochemical Kinetics

(2007) Alex Tarnopolsky et al.   JOURNAL OF PHYSICAL CHEMISTRY A