# Coupled-cluster studies. II. The role of localization in correlation calculations on extended systems

@article{Frner1985CoupledclusterSI, title={Coupled-cluster studies. II. The role of localization in correlation calculations on extended systems}, author={Wolfgang F{\"o}rner and Janos Ladik and Peter Otto and Jiri Cizek}, journal={Chemical Physics}, year={1985}, volume={97}, pages={251-262} }

## 106 Citations

### Formulation of the coupled cluster theory with localized orbitals in correlation calculations on polymers

- Physics, Chemistry
- 1992

It is shown that in the framework of coupled cluster theory both the correlation energy per unit cell and quasi-particle band structures of polymers can be computed directly from matrix elements of…

### Orthogonalized atomic orbitals and the interpretation of valence bond wavefunctions

- Chemistry, Physics
- 1987

### The local correlation treatment. II. Implementation and tests

- Physics, Chemistry
- 1988

Computational results are reported which demonstrate the performance of the local correlation method, including convergence behavior and supercomputer timing. Calculations at the local MP4(SDQ) level…

### New “localized orbitals” appropriate for post‐Hartree—Fock calculations

- Chemistry
- 1996

In this work, we propose a new orbital set based on density matrices of subsystems. Most of the resultant orbitals are localized in the subsystems and resemble the natural orbitals of the subsystems.…

### Electronic Correlation in Polymers

- Physics
- 1988

It is well known that the Hartree-Fock method gives only an approximation to the correct total energy and wave function of a system. Unless heavy atoms are present in the system, which would require…

### Local quantum chemistry: The local space approximation for Møller–Plesset perturbation theory

- Chemistry
- 1995

The local space approximation is an accurate technique for describing a relatively small cluster embedded within an extended system. It has previously been developed for the Hartree-Fock, local…

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