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Approximate molecular relativistic Dirac-Coulomb calculations using a simple Coulombic correction

✍ Scribed by Lucas Visscher

Book ID: 105887054
Publisher: Springer
Year: 1997
Tongue: English
Weight: 269 KB
Volume: 98
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s002140050280

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📜 SIMILAR VOLUMES

New method for approximate Hartree–Fock

New method for approximate Hartree–Fock calculations using density approximations and coulomb field corrections. I

✍ Wolf-Eckart Noack 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 731 KB

## Abstract A method is proposed that reduces the computational effort of HF calculations considerably by reducing the number of two‐electron integrals that have to be calculated. The following concepts are used: (i) approximation of the electron density by only few functions for the Coulomb part o

New method for approximate Hartree-Fock

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✍ Wolf-Eckart Noack 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 741 KB

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