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An exact derivation of orthogonal two-electron orbitals

✍ Scribed by E. Kapuy

Book ID: 112999927
Publisher: Springer-Verlag
Year: 1960
Weight: 135 KB
Volume: 12
Category: Article
ISSN: 0001-6705
DOI: 10.1007/bf03158101

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📜 SIMILAR VOLUMES

Derivation of “almost” orthogonal two-el

Derivation of “almost” orthogonal two-electron orbitals

✍ E. Kapuy 📂 Article 📅 1961 🏛 Springer-Verlag ⚖ 304 KB

Derivation of approximate two-electron o

Derivation of approximate two-electron orbitals

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Configuration interaction for wave functions built up from orthogonal two-electron orbitals

✍ E. Kapuy 📂 Article 📅 1960 🏛 Springer-Verlag ⚖ 277 KB

Coupled perturbed Hartree—Fock equations

Coupled perturbed Hartree—Fock equations. An alternative derivation and generalization to non-orthogonal orbitals

✍ Béla Paizs; István Mayer 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 381 KB

An altemative derivation of the coupled perturbed Hartree-Fock equations is given including the most general case of nonorthogonal molecnlar orbitals and non-Hermitian Fockians.

Density matrices for wave functions buil

Density matrices for wave functions built up from non-orthogonal two-electron orbitals

✍ E. Kapuy 📂 Article 📅 1959 🏛 Springer-Verlag ⚖ 112 KB

A derivation of the exact pi-electron ha

A derivation of the exact pi-electron hamiltonian

✍ K.F. Freed 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 526 KB

The exact pi-electron hamiltonian isderived from the full many-electron Schriidinger equation. The derivation employs techniques which also enable the developmenr of open shell generalized perturbation theory. The parameters occurring in the pi-hamiltonian are therefore amenable to cakulation using