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The Journal of Chemical Physics
|
April 10, 2020
Polarized Gaussian basis sets from one-electron ions
Susi Lehtola
Journal of Chemical Theory and Computation
|
January 18, 2019
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient
Susi Lehtola
The Journal of Chemical Physics
|
January 3, 2020
Curing basis set overcompleteness with pivoted Cholesky decompositions
Susi Lehtola
Journal of Chemical Theory and Computation
|
September 4, 2023
Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets
Susi Lehtola
Journal of Chemical Theory and Computation
|
October 6, 2021
Straightforward and Accurate Automatic Auxiliary Basis Set Generation for Molecular Calculations with Atomic Orbital Basis Sets
Susi Lehtola
The Journal of Physical Chemistry. A
|
May 2, 2023
Atomic Electronic Structure Calculations with Hermite Interpolating Polynomials
Susi Lehtola
Journal of Computational Chemistry
|
December 10, 2014
Automatic algorithms for completeness-optimization of Gaussian basis sets
Susi Lehtola
The Journal of Chemical Physics
|
November 10, 2023
A call to arms: Making the case for more reusable libraries
Susi Lehtola
Journal of Chemical Theory and Computation
|
June 24, 2023
Accuracy of a Recent Regularized Nuclear Potential
Susi Lehtola
Journal of Chemical Theory and Computation
|
April 21, 2023
Meta-GGA Density Functional Calculations on Atoms with Spherically Symmetric Densities in the Finite Element Formalism
Susi Lehtola
Page
of 6
Search research articles
Search
Showing results (1-10 of 53) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
April 10, 2020
Polarized Gaussian basis sets from one-electron ions
Susi Lehtola
Journal of Chemical Theory and Computation
|
January 18, 2019
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient
Susi Lehtola
The Journal of Chemical Physics
|
January 3, 2020
Curing basis set overcompleteness with pivoted Cholesky decompositions
Susi Lehtola
Journal of Chemical Theory and Computation
|
September 4, 2023
Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets
Susi Lehtola
Journal of Chemical Theory and Computation
|
October 6, 2021
Straightforward and Accurate Automatic Auxiliary Basis Set Generation for Molecular Calculations with Atomic Orbital Basis Sets
Susi Lehtola
The Journal of Physical Chemistry. A
|
May 2, 2023
Atomic Electronic Structure Calculations with Hermite Interpolating Polynomials
Susi Lehtola
Journal of Computational Chemistry
|
December 10, 2014
Automatic algorithms for completeness-optimization of Gaussian basis sets
Susi Lehtola
The Journal of Chemical Physics
|
November 10, 2023
A call to arms: Making the case for more reusable libraries
Susi Lehtola
Journal of Chemical Theory and Computation
|
June 24, 2023
Accuracy of a Recent Regularized Nuclear Potential
Susi Lehtola
Journal of Chemical Theory and Computation
|
April 21, 2023
Meta-GGA Density Functional Calculations on Atoms with Spherically Symmetric Densities in the Finite Element Formalism
Susi Lehtola
Page
of 6