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Journal of Chemical Theory and Computation
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October 7, 2025
Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Computational Electrochemistry
Anton Z Ni, Adam Rettig, Joonho Lee
The Journal of Chemical Physics
|
March 10, 2019
Well-behaved versus ill-behaved density functionals for single bond dissociation: Separating success from disaster functional by functional for stretched H<sub>2</sub>
Diptarka Hait, Adam Rettig, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
August 16, 2023
Even Faster Exact Exchange for Solids via Tensor Hypercontraction
Adam Rettig, Joonho Lee, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2019
Beyond the Coulson-Fischer point: characterizing single excitation CI and TDDFT for excited states in single bond dissociations
Diptarka Hait, Adam Rettig, Martin Head-Gordon
The Journal of Chemical Physics
|
February 6, 2026
Efficient all-electron periodic Fourier-transformed Coulomb method
Hieu Q Dinh, Adam Rettig, Xintian Feng, et al.
Journal of Chemical Theory and Computation
|
September 2, 2022
Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Møller-Plesset Theory
Adam Rettig, James Shee, Joonho Lee, et al.
Journal of Chemical Theory and Computation
|
November 9, 2020
Third-Order Møller-Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals
Adam Rettig, Diptarka Hait, Luke W Bertels, et al.
The Journal of Physical Chemistry Letters
|
December 15, 2021
Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost
James Shee, Matthias Loipersberger, Adam Rettig, et al.
Journal of Chemical Theory and Computation
|
December 2, 2022
Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set Limit
Joonho Lee, Adam Rettig, Xintian Feng, et al.
The Journal of Physical Chemistry Letters
|
October 29, 2021
Crossed Beam Experiments and Computational Studies of Pathways to the Preparation of Singlet Ethynylsilylene (HCCSiH; X<sup>1</sup>A'): The Silacarbene Counterpart of Triplet Propargylene (HCCCH; X<sup>3</sup>B)
Adam Rettig, Martin Head-Gordon, Srinivas Doddipatla, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
October 7, 2025
Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Computational Electrochemistry
Anton Z Ni, Adam Rettig, Joonho Lee
The Journal of Chemical Physics
|
March 10, 2019
Well-behaved versus ill-behaved density functionals for single bond dissociation: Separating success from disaster functional by functional for stretched H<sub>2</sub>
Diptarka Hait, Adam Rettig, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
August 16, 2023
Even Faster Exact Exchange for Solids via Tensor Hypercontraction
Adam Rettig, Joonho Lee, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2019
Beyond the Coulson-Fischer point: characterizing single excitation CI and TDDFT for excited states in single bond dissociations
Diptarka Hait, Adam Rettig, Martin Head-Gordon
The Journal of Chemical Physics
|
February 6, 2026
Efficient all-electron periodic Fourier-transformed Coulomb method
Hieu Q Dinh, Adam Rettig, Xintian Feng, et al.
Journal of Chemical Theory and Computation
|
September 2, 2022
Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Møller-Plesset Theory
Adam Rettig, James Shee, Joonho Lee, et al.
Journal of Chemical Theory and Computation
|
November 9, 2020
Third-Order Møller-Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals
Adam Rettig, Diptarka Hait, Luke W Bertels, et al.
The Journal of Physical Chemistry Letters
|
December 15, 2021
Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost
James Shee, Matthias Loipersberger, Adam Rettig, et al.
Journal of Chemical Theory and Computation
|
December 2, 2022
Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set Limit
Joonho Lee, Adam Rettig, Xintian Feng, et al.
The Journal of Physical Chemistry Letters
|
October 29, 2021
Crossed Beam Experiments and Computational Studies of Pathways to the Preparation of Singlet Ethynylsilylene (HCCSiH; X<sup>1</sup>A'): The Silacarbene Counterpart of Triplet Propargylene (HCCCH; X<sup>3</sup>B)
Adam Rettig, Martin Head-Gordon, Srinivas Doddipatla, et al.
Page
of 2