All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms.

By Dimitrios A. Pantazis, Xianyang Chen, Clark R. Landis, Frank Neese. Journal of Chemical Theory and Computation, 2008

1,161 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/d800853a02b40dbc170928f6f0cc5c4ce23e8a05

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Frank Neese
2. Christoph Riplinger
3. Qianli Ma
4. Hans-Joachim Werner

In Electrical and Electronic Engineering

1. Frank Neese

In Spectroscopy

1. Frank Neese
2. Dimitrios A. Pantazis
3. M. Orio

Citations in the corpus

• Software update: the ORCA program system, version 4.0 (2018, background): “Heavier elements are either treated with effective core potentials (ECPs) or segmented relativisti-cally contracted (SARC) basis sets 5 – 10 in conjunction with scalar-relativistic Hamiltonians.”