The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package (Q6040761): Difference between revisions
From MaRDI portal
Added link to MaRDI item. |
ReferenceBot (talk | contribs) Changed an Item |
||
| (One intermediate revision by one other user not shown) | |||
| Property / OpenAlex ID | |||
| Property / OpenAlex ID: W3005116314 / rank | |||
Normal rank | |||
| Property / cites work | |||
| Property / cites work: Correlation Energy of an Electron Gas at High Density / rank | |||
Normal rank | |||
| Property / cites work | |||
| Property / cites work: A scalable and accurate algorithm for the computation of Hartree-Fock exchange / rank | |||
Normal rank | |||
| Property / cites work | |||
| Property / cites work: Ab initio molecular simulations with numeric atom-centered orbitals / rank | |||
Normal rank | |||
| Property / cites work | |||
| Property / cites work: Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions / rank | |||
Normal rank | |||
| Property / cites work | |||
| Property / cites work: \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations / rank | |||
Normal rank | |||
Latest revision as of 04:07, 1 August 2024
scientific article; zbMATH DE number 7687563
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package |
scientific article; zbMATH DE number 7687563 |
Statements
The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package (English)
0 references
22 May 2023
0 references
density-functional theory
0 references
Hartree-Fock
0 references
hybrid functionals
0 references
numeric atomic orbitals
0 references
linear scaling
0 references
MPI
0 references
0 references
