On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets (Q5934217): Difference between revisions
From MaRDI portal
Added link to MaRDI item. |
Changed an Item |
||
| (One intermediate revision by one other user not shown) | |||
| Property / MaRDI profile type | |||
| Property / MaRDI profile type: MaRDI publication profile / rank | |||
Normal rank | |||
| Property / arXiv ID | |||
| Property / arXiv ID: physics/0006069 / rank | |||
Normal rank | |||
Latest revision as of 10:55, 18 April 2024
scientific article; zbMATH DE number 1606153
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets |
scientific article; zbMATH DE number 1606153 |
Statements
On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets (English)
0 references
26 July 2001
0 references
coupled perturbed Kohn-Sham
0 references
energetics
0 references
geometries
0 references
vibrational frequencies
0 references
infrared intensities
0 references
Gaussian 98 program system
0 references
third-row transition metal systems
0 references
