Regularized orbital-optimized second-order perturbation theory

scientific article published in December 2013

Regularized orbital-optimized second-order perturbation theory is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1063/1.4851816
P698PubMed publication ID24387359

P50authorMartin Head-GordonQ6775643
P2093author name stringDavid Stück
P2860cites workNew Developments in Molecular Orbital TheoryQ21709697
Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+Q29301115
Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theoryQ34191567
Semiempirical hybrid density functional with perturbative second-order correlationQ34488458
Assessment of Orbital-Optimized Third-Order Møller-Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics.Q40298241
Exploring the competition between localization and delocalization of the neutral soliton defect in polyenyl chains with the orbital optimized second order opposite spin methodQ43453282
Orbital optimized double-hybrid density functionalsQ44060793
Intruder state avoidance multireference Møller-Plesset perturbation theory.Q44063220
Attenuated second-order Møller-Plesset perturbation theory: performance within the aug-cc-pVTZ basisQ44523489
Analytic energy gradients for the orbital-optimized second-order Møller-Plesset perturbation theory.Q44775523
Developing the random phase approximation into a practical post-Kohn-Sham correlation model.Q45982269
On the nature of electron correlation in C60.Q46176762
Attenuating Away the Errors in Inter- and Intramolecular Interactions from Second-Order Møller-Plesset Calculations in the Small Aug-cc-pVDZ Basis Set.Q46961421
Correlated one-body potential from second-order Møller-Plesset perturbation theory: alternative to orbital-optimized MP2 method.Q51198441
Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory.Q51530587
Orbital-optimized opposite-spin scaled second-order correlation: an economical method to improve the description of open-shell molecules.Q51626781
Molecular Electronic-Structure TheoryQ55981124
Use of approximate integrals in ab initio theory. An application in MP2 energy calculationsQ56442891
Quadratic configuration interaction. A general technique for determining electron correlation energiesQ56750190
Gaussian‐2 theory for molecular energies of first‐ and second‐row compoundsQ56750573
Basis-set convergence in correlated calculations on Ne, N2, and H2OQ56813616
M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and PhysicsQ57402001
Degeneracy-corrected perturbation theory for electronic structure calculationsQ57402408
Scaling all correlation energy in perturbation theory calculations of bond energies and barrier heightsQ57402626
Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and KineticsQ58009957
A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactionsQ58201162
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairsQ58445407
DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion CorrectionQ58738552
P433issue24
P407language of work or nameEnglishQ1860
P921main subjectperturbation theoryQ911364
P304page(s)244109
P577publication date2013-12-01
P1433published inJournal of Chemical PhysicsQ900472
P1476titleRegularized orbital-optimized second-order perturbation theory
P478volume139