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The Journal of Chemical Physics
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July 9, 2021
Accelerating seminumerical Fock-exchange calculations using mixed single- and double-precision arithmethic
Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
June 8, 2022
Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 Theory
Lars Urban, Henryk Laqua, Christian Ochsenfeld
The Journal of Chemical Physics
|
April 2, 2018
Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization
Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
June 16, 2018
Efficient and Linear-Scaling Seminumerical Method for Local Hybrid Density Functionals
Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
February 22, 2021
Highly Efficient Resolution-of-Identity Density Functional Theory Calculations on Central and Graphics Processing Units
Jörg Kussmann, Henryk Laqua, Christian Ochsenfeld
The Journal of Chemical Physics
|
December 4, 2018
An improved molecular partitioning scheme for numerical quadratures in density functional theory
Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
November 4, 2022
Efficient Method for the Computation of Frozen-Core Nuclear Gradients within the Random Phase Approximation
Viktoria Drontschenko, Daniel Graf, Henryk Laqua, et al.
Journal of Chemical Theory and Computation
|
August 25, 2021
Lagrangian-Based Minimal-Overhead Batching Scheme for the Efficient Integral-Direct Evaluation of the RPA Correlation Energy
Viktoria Drontschenko, Daniel Graf, Henryk Laqua, et al.
The Journal of Chemical Physics
|
May 9, 2025
The conundrum of diffuse basis sets: A blessing for accuracy yet a curse for sparsity
Henryk Laqua, Linus Bjarne Dittmer, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
April 25, 2020
Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark
Andrea Kreppel, Daniel Graf, Henryk Laqua, et al.
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Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
July 9, 2021
Accelerating seminumerical Fock-exchange calculations using mixed single- and double-precision arithmethic
Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
June 8, 2022
Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 Theory
Lars Urban, Henryk Laqua, Christian Ochsenfeld
The Journal of Chemical Physics
|
April 2, 2018
Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization
Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
June 16, 2018
Efficient and Linear-Scaling Seminumerical Method for Local Hybrid Density Functionals
Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
February 22, 2021
Highly Efficient Resolution-of-Identity Density Functional Theory Calculations on Central and Graphics Processing Units
Jörg Kussmann, Henryk Laqua, Christian Ochsenfeld
The Journal of Chemical Physics
|
December 4, 2018
An improved molecular partitioning scheme for numerical quadratures in density functional theory
Henryk Laqua, Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
November 4, 2022
Efficient Method for the Computation of Frozen-Core Nuclear Gradients within the Random Phase Approximation
Viktoria Drontschenko, Daniel Graf, Henryk Laqua, et al.
Journal of Chemical Theory and Computation
|
August 25, 2021
Lagrangian-Based Minimal-Overhead Batching Scheme for the Efficient Integral-Direct Evaluation of the RPA Correlation Energy
Viktoria Drontschenko, Daniel Graf, Henryk Laqua, et al.
The Journal of Chemical Physics
|
May 9, 2025
The conundrum of diffuse basis sets: A blessing for accuracy yet a curse for sparsity
Henryk Laqua, Linus Bjarne Dittmer, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
April 25, 2020
Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark
Andrea Kreppel, Daniel Graf, Henryk Laqua, et al.
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of 2