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Publications by Dejun Si

Analytic Energy Gradients in Combined Second Order Møller-Plesset Perturbation Theory and Conductorlike Polarizable Continuum Model Calculation

Journal of Chemical Physics

Theoretical Chemistry

English

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Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation

Journal of Computational Chemistry

Computational Mathematics

English

Efficient Linear-Scaling Second-Order Møller-Plesset Perturbation Theory: The Divide–expand–consolidate RI-MP2 Model

Journal of Chemical Physics

Theoretical Chemistry

English

An Energy Decomposition Analysis for Second-Order Møller–Plesset Perturbation Theory Based on Absolutely Localized Molecular Orbitals

Journal of Chemical Physics

Theoretical Chemistry

English

Efficient Implementation of Energy Decomposition Analysis for Second-Order Møller–Plesset Perturbation Theory and Application to Anion−π Interactions

Journal of Physical Chemistry A

Theoretical Chemistry

English

Divide-Expand-Consolidate Second-Order Møller-Plesset Theory With Periodic Boundary Conditions

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

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Analytic Energy Gradients for Multiconfigurational Self-Consistent Field Second-Order Quasidegenerate Perturbation Theory (MC-QDPT)

Journal of Chemical Physics

Theoretical Chemistry

English

The Divide-Expand-Consolidate Family of Coupled Cluster Methods: Numerical Illustrations Using Second Order Møller-Plesset Perturbation Theory

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: A New Approach to Dual-Basis Second-Order Møller–Plesset Calculations

Journal of Chemical Physics

Theoretical Chemistry

English

Second Floor Order Perturbation Calculation in Energy Exchange of FEL

English