# Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

@article{Lee1988DevelopmentOT, title={Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.}, author={Lee and Yang and Parr}, journal={Physical review. B, Condensed matter}, year={1988}, volume={37 2}, pages={ 785-789 } }

A correlation-energy formula due to Colle and Salvetti [Theor. Chim. Acta 37, 329 (1975)], in which the correlation energy density is expressed in terms of the electron density and a Laplacian of the second-order Hartree-Fock density matrix, is restated as a formula involving the density and local kinetic-energy density. On insertion of gradient expansions for the local kinetic-energy density, density-functional formulas for the correlation energy and correlation potential are then obtained…

## 68,163 Citations

### Correlation energy of many-electron systems: a modified Colle-Salvetti approach.

- PhysicsThe Journal of chemical physics
- 2004

A modified-local-density approximation that can be used in self-consistent density-functional calculations and results for the correlation energies and for the ionization potentials which improve those of the standard local- density approximation are found.

### A new correlation functional based on analysis of the Colle–Salvetti functional

- Physics
- 2002

The behavior of the Colle–Salvetti (CS) correlation functional based on the Hartree–Fock (HF) second-order density matrix is investigated in the case of the He atom. The analysis of the correlation…

### A study of the Colle–Salvetti formula for the calculation of the correlation energy

- Physics
- 1990

The formalism of Colle and Salvetti for the calculation of the correlation energy of electronic systems has proven to be highly successful in a wide variety of applications. Several authors have…

### The Colle–Salvetti Wavefunction Revisited: a Comparison Between Three Approaches for Obtaining the Correlation Energy

- Physics
- 2006

The correlation factor of Colle and Salvetti is studied by comparing the behavior of three different correlation functionals. The normalization, sum rule, Coulomb hole, correlation energy integrand,…

### UNAMBIGUOUS EXCHANGE-CORRELATION ENERGY DENSITY FOR HOOKE'S ATOM

- Physics
- 1998

Recently, we used Helmholtz's theorem to construct an unambiguous exchange)correlation energy density for use in density functional theory. This energy density requires only knowledge of the density…

### A Correlation-Energy Functional for Addition to the Hartree-Fock Energy

- Chemistry
- 1998

This article concerns the Wilson-Levy (WL) correlation-energy functional, Wigner-like with gradients, which was developed in 1990. Its numerical success in density functional theory (DFT) has been…

### Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem.

- PhysicsThe Journal of chemical physics
- 2007

It is shown how current-dependent terms enter the Colle-Salvetti expression and their relevance is evaluated, and a very good description of the degeneracy of ground states for atoms of the first and second rows of the Periodic Table is obtained.

### Correlation corrections based on the Schrödinger equation with a local potential

- Physics
- 2006

A compromise version of calculation of the ground state electronic energy is proposed that combines both the density functional theory and the wave function formalism. Single-particle orbitals and…

### Generalization of the Colle–Salvetti correlation energy method to a many‐determinant wave function

- Chemistry
- 1990

The Colle–Salvetti method for calculating the correlation energy [Theor. Chim. Acta 37, 329 (1975)] is generalized to treat cases in which the reference function not a Hartree–Fock one, but a…