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Journal of Chemical Theory and Computation
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November 26, 2015
Local MP2 with Density Fitting for Periodic Systems: A Parallel Implementation
Lorenzo Maschio
The Journal of Physical Chemistry. A
|
November 11, 2024
Coupled Perturbed Approach to Dual Basis Sets for Molecules and Solids. II: Energy and Band Corrections for Periodic Systems
Lorenzo Maschio, Bernard Kirtman
Journal of Chemical Theory and Computation
|
December 3, 2019
Coupled Perturbation Theory Approach to Dual Basis Sets for Molecules and Solids. 1. General Theory and Application to Molecules
Lorenzo Maschio, Bernard Kirtman
Journal of Chemical Theory and Computation
|
September 30, 2021
Electronic Excitations in Crystalline Solids through the Maximum Overlap Method
Loredana Edith Daga, Lorenzo Maschio
Journal of Chemical Theory and Computation
|
July 2, 2020
Exfoliation Energy of Layered Materials by DFT-D: Beware of Dispersion!
Michele Cutini, Lorenzo Maschio, Piero Ugliengo
Journal of Chemical Theory and Computation
|
November 7, 2024
A Case Study of an Energy Barrier in Li-Ion Battery Cathode Material Using DFT and Post-HF Approaches
Laura Bonometti, Denis Usvyat, Lorenzo Maschio
The Journal of Chemical Physics
|
August 22, 2025
Erratum: "First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals" [J. Chem. Phys. 158, 064707 (2023)]
François Mairesse, Lorenzo Maschio, Benoît Champagne
The Journal of Chemical Physics
|
September 17, 2015
Periodic local MP2 method employing orbital specific virtuals
Denis Usvyat, Lorenzo Maschio, Martin Schütz
The Journal of Chemical Physics
|
September 24, 2017
Ab initio electronic transport and thermoelectric properties of solids from full and range-separated hybrid functionals
Giuseppe Sansone, Andrea Ferretti, Lorenzo Maschio
The Journal of Chemical Physics
|
February 15, 2023
First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals
François Mairesse, Lorenzo Maschio, Benoît Champagne
Page
of 7
Search research articles
Search
Showing results (1-10 of 67) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 26, 2015
Local MP2 with Density Fitting for Periodic Systems: A Parallel Implementation
Lorenzo Maschio
The Journal of Physical Chemistry. A
|
November 11, 2024
Coupled Perturbed Approach to Dual Basis Sets for Molecules and Solids. II: Energy and Band Corrections for Periodic Systems
Lorenzo Maschio, Bernard Kirtman
Journal of Chemical Theory and Computation
|
December 3, 2019
Coupled Perturbation Theory Approach to Dual Basis Sets for Molecules and Solids. 1. General Theory and Application to Molecules
Lorenzo Maschio, Bernard Kirtman
Journal of Chemical Theory and Computation
|
September 30, 2021
Electronic Excitations in Crystalline Solids through the Maximum Overlap Method
Loredana Edith Daga, Lorenzo Maschio
Journal of Chemical Theory and Computation
|
July 2, 2020
Exfoliation Energy of Layered Materials by DFT-D: Beware of Dispersion!
Michele Cutini, Lorenzo Maschio, Piero Ugliengo
Journal of Chemical Theory and Computation
|
November 7, 2024
A Case Study of an Energy Barrier in Li-Ion Battery Cathode Material Using DFT and Post-HF Approaches
Laura Bonometti, Denis Usvyat, Lorenzo Maschio
The Journal of Chemical Physics
|
August 22, 2025
Erratum: "First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals" [J. Chem. Phys. 158, 064707 (2023)]
François Mairesse, Lorenzo Maschio, Benoît Champagne
The Journal of Chemical Physics
|
September 17, 2015
Periodic local MP2 method employing orbital specific virtuals
Denis Usvyat, Lorenzo Maschio, Martin Schütz
The Journal of Chemical Physics
|
September 24, 2017
Ab initio electronic transport and thermoelectric properties of solids from full and range-separated hybrid functionals
Giuseppe Sansone, Andrea Ferretti, Lorenzo Maschio
The Journal of Chemical Physics
|
February 15, 2023
First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals
François Mairesse, Lorenzo Maschio, Benoît Champagne
Page
of 7