Name
Title | ||
|---|---|---|
Construction of a perfectly N-representable two-electron density matrix carrying full information on an interacting system. |
Abstract | ||
|---|---|---|
The two-particle density matrix contains all information, which is "readable" by one- and two-particle operators. The report discusses the building of a two-electron density matrix, which is perfectly N-representable by construction. The 2-matrix of a pure quantum state is obtained without the intermediate determination of the wave function. The procedure is illustrated by computations on atomic and small molecular systems. |
Year | DOI | Venue |
|---|---|---|
2001 | 10.1021/ci000131j | JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES |
Keywords | Field | DocType |
electron density | Electron density,Combinatorics,Matrix (mathematics),Computational chemistry,Quantum state,Operator (computer programming),State-transition matrix,Density matrix,Mathematics,Computation | Journal |
Volume | Issue | ISSN |
41 | 3 | 0095-2338 |
Citations | PageRank | References |
0 | 0.34 | 1 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Imre Bálint | 1 | 3 | 2.12 |
| G Dezśó | 2 | 0 | 0.34 |
| I Gyémánt | 3 | 0 | 0.34 |