Theory of Electron Correlation in Atoms and Molecules

On the theory of electron correlation in

On the theory of electron correlation in atoms and molecules: Relation between cluster expansion theory and the correlated wave functions method

✍ Keith R. Roby 📂 Article 📅 1971 🏛 John Wiley and Sons 🌐 English ⚖ 437 KB

## Abstract A relation between the cluster expansion theory of many electron wave functions and the correlated wave functions method is established. In this way, the theoretical basis of the method is elucidated and the approximations involved in its application become apparent. General forms of th

On the theory of electron correlation in

On the theory of electron correlation in atoms and molecules. II. General cluster expansion theory and the general correlated wave functions method

✍ Keith R. Roby 📂 Article 📅 1972 🏛 John Wiley and Sons 🌐 English ⚖ 778 KB

On the use of MP2 theory for electron mo

On the use of MP2 theory for electron molecules correlation in atoms and molecules

✍ WILSON, S.; HUBAC, I. 📂 Article 📅 2001 🏛 Taylor and Francis Group 🌐 English ⚖ 295 KB

Atomic Fukui indexes from the topologica

Atomic Fukui indexes from the topological theory of atoms in molecules applied to Hartree-Fock and correlated electron densities

✍ Cioslowski, Jerzy; Martinov, Martin; Mixon, Stacey T. 📂 Article 📅 1993 🏛 American Chemical Society 🌐 English ⚖ 496 KB

Thirty years of relativistic self-consis

Thirty years of relativistic self-consistent field theory for molecules: relativistic and electron correlation effects for atomic and molecular systems of transactinide superheavy elements up to ekaplutonium E126 with g-atomic spinors in the ground state configuration

✍ Gulzari L. Malli 📂 Article 📅 2007 🏛 Springer 🌐 English ⚖ 50 KB

Thirty years of relativistic self-consis

Thirty years of relativistic self-consistent field theory for molecules: relativistic and electron correlation effects for atomic and molecular systems of transactinide superheavy elements up to ekaplutonium E126 with g-atomic spinors in the ground state configuration

✍ Gulzari L. Malli 📂 Article 📅 2007 🏛 Springer 🌐 English ⚖ 237 KB