scholarly article | Q13442814 |
P356 | DOI | 10.1063/1.4851816 |
P698 | PubMed publication ID | 24387359 |
P50 | author | Martin Head-Gordon | Q6775643 |
P2093 | author name string | David Stück | |
P2860 | cites work | New Developments in Molecular Orbital Theory | Q21709697 |
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 theory | Q34191567 | ||
Semiempirical hybrid density functional with perturbative second-order correlation | Q34488458 | ||
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 method | Q43453282 | ||
Orbital optimized double-hybrid density functionals | Q44060793 | ||
Intruder state avoidance multireference Møller-Plesset perturbation theory. | Q44063220 | ||
Attenuated second-order Møller-Plesset perturbation theory: performance within the aug-cc-pVTZ basis | Q44523489 | ||
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 Theory | Q55981124 | ||
Use of approximate integrals in ab initio theory. An application in MP2 energy calculations | Q56442891 | ||
Quadratic configuration interaction. A general technique for determining electron correlation energies | Q56750190 | ||
Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds | Q56750573 | ||
Basis-set convergence in correlated calculations on Ne, N2, and H2O | Q56813616 | ||
M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics | Q57402001 | ||
Degeneracy-corrected perturbation theory for electronic structure calculations | Q57402408 | ||
Scaling all correlation energy in perturbation theory calculations of bond energies and barrier heights | Q57402626 | ||
Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics | Q58009957 | ||
A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions | Q58201162 | ||
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs | Q58445407 | ||
DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction | Q58738552 | ||
P433 | issue | 24 | |
P407 | language of work or name | English | Q1860 |
P921 | main subject | perturbation theory | Q911364 |
P304 | page(s) | 244109 | |
P577 | publication date | 2013-12-01 | |
P1433 | published in | Journal of Chemical Physics | Q900472 |
P1476 | title | Regularized orbital-optimized second-order perturbation theory | |
P478 | volume | 139 |