✦ LIBER ✦

Extended Douglas–Kroll transformations applied to the relativistic many-electron Hamiltonian

✍ Scribed by Nakajima, Takahito; Hirao, Kimihiko

Book ID: 120340889
Publisher: American Institute of Physics
Year: 2003
Tongue: English
Weight: 367 KB
Volume: 119
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1594173

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A finite-nucleus model for relativistic

A finite-nucleus model for relativistic electronic structure calculations using a Douglas-Kroll-transformed Hamiltonian

✍ Praphull Chandra; Bernd Artur Heß 📂 Article 📅 1994 🏛 Springer 🌐 English ⚖ 778 KB

Exact decoupling of the Dirac Hamiltonia

Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas–Kroll–Hess transformation up to arbitrary order

✍ Reiher, Markus; Wolf, Alexander 📂 Article 📅 2004 🏛 American Institute of Physics 🌐 English ⚖ 398 KB

Relativistic all-electron coupled-cluste

Relativistic all-electron coupled-cluster calculations on the gold atom and gold hydride in the framework of the douglas-kroll transformation

✍ Uzi Kaldor; Bernd A. Heß 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 589 KB

A one-component relativistic method, based on the Douglas-Kroll transformation, is combined with the Fock-space coupledcluster method for treating electron correlation. The method is applied to the gold atom. the AuH molecule, and their ions. Excitation energies, ionization potentials, electron affi

Atomic approximation to the projection o

Atomic approximation to the projection on electronic states in the Douglas-Kroll-Hess approach to the relativistic Kohn-Sham method

✍ Matveev, Alexei V.; Rösch, Notker 📂 Article 📅 2008 🏛 American Institute of Physics 🌐 English ⚖ 590 KB