Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation.

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Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation.

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Analytic energy gradients for ...... : An efficient implementation.

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Analytic energy gradients for ...... : An efficient implementation.

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Analytic energy gradients for ...... : An efficient implementation.

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Analytic energy gradients for ...... : An efficient implementation.

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Analytic energy gradients for ...... : An efficient implementation.

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Analytic energy gradients for ...... : An efficient implementation.

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P1476

Analytic energy gradients for ...... : An efficient implementation.

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P2093

Uğur Bozkaya

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P2860

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis

Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark data.

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.

Assessment of Orbital-Optimized Third-Order Møller-Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics.

Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a t1-Transformed Hamiltonian.

Accurate Open-Shell Noncovalent Interaction Energies from the Orbital-Optimized Møller-Plesset Perturbation Theory: Achieving CCSD Quality at the MP2 Level by Orbital Optimization.

Exploring the competition between localization and delocalization of the neutral soliton defect in polyenyl chains with the orbital optimized second order opposite spin method.

Analytic energy gradients for the orbital-optimized second-order Møller-Plesset perturbation theory.

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351-360

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scholarly article

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10.1002/JCC.25122

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P433

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P478

http://www.w3.org/2001/XMLSchema#string

P50

Uğur Bozkaya

P577

2017-11-21T00:00:00Z

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P698

29164639

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