| |
| | Home Page of Density Functional Theory |
 | | The first Hohenberg-Kohn theorem asserts that the density of any system determines all ground-state properties of the system, that is, E=E[n0], where n0 is the ground-state density of the system. |
 | | The wavefunction psi of an N-electron system includes 3N variables, while the density, no matter how large the system is, has only three variables x, y, and z. |
 | | Formulation along this line provides the possibility of the linear scaling algorithm currently in fashion, whose computational complexity goes like O(NlogN), essentially linear in N when N is very large. |
| www.unc.edu /~shubin/dft.html (331 words) |
|