Reduced Density Matrices in Quantum Chemistry

By E. Davidson. 2012

189 citations recorded by the source corpus.

Subfields: Physical and Theoretical Chemistry, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/179ab371e8288a8b1a15a9a89a00280e34f8f80d

How researchers see this paper

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

In Physical and Theoretical Chemistry

1. Frank Weinhold
2. Markus Reiher
3. Christoph R. Jacob

In Spectroscopy

1. Frank Weinhold
2. Markus Reiher
3. Christoph R. Jacob

Citations in the corpus

• Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives (2012, background): “(Details of this expression, its relationship to electron density, and the role of the Pauli exchange principle in its derivation and usage are described elsewhere.([10])) As originally introduced by L€ owdin, natural (spin-) orbitals {hk} are the eigen orbitals of D((1)) satisfying”
• Density functional theory: Foundations reviewed (2014, unknown): “[156–158].”
• Spin in density‐functional theory (2012, background): “The total electron densities qS and the spin densities QSðrÞ of these Ŝz eigenstates are related to each other([60,78,79]): All 2S þ 1 states share the same total electron density,”