Implementation of analytical Hartree-Fock gradients for periodic systems (Q5943241)
From MaRDI portal
scientific article; zbMATH DE number 1642590
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Implementation of analytical Hartree-Fock gradients for periodic systems |
scientific article; zbMATH DE number 1642590 |
Statements
Implementation of analytical Hartree-Fock gradients for periodic systems (English)
0 references
22 July 2002
0 references
CRYSTAL
0 references
calculating analytical derivatives
0 references
periodic systems
0 references
molecules
0 references
polymers
0 references
slabs
0 references
solids
0 references
