NATURAL TRANSITION ORBITALS

By Richard L. Martin. 2003

2,266 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/f591923cf36a91e4d17e73e8d53627c60de958eb

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. Qinxue Chen
2. Donald G. Truhlar
3. Ali Alavi
4. Tian Lu
5. Sebastian Wouters
6. Andreas Dreuw
7. L. Chibotaru
8. Markus Reiher

In Catalysis

1. Tian Lu
2. Donald G. Truhlar
3. Felix Plasser
4. Qinxue Chen
5. Robert O. Jones

In Electrical and Electronic Engineering

1. Ali Alavi
2. Tian Lu
3. Donald G. Truhlar
4. Andreas Dreuw
5. Felix Plasser
6. Philipp Marquetand
7. Qinxue Chen

Citations in the corpus

• A simple method of identifying π orbitals for non-planar systems and a protocol of studying π electronic structure (2020, methodology): “For example, π component of natural transition orbitals [47] may be used for quantitatively estimating percentage π–π* and n–π characters in electronic transitions, while π component of MOs may be employed as a criterion for screening active orbitals involved in the complete active space self-consis”
• OpenMolcas: From source code to insight. (2019, methodology): “325 To visualize the excitations in real space, binatural or natural transition orbitals 317,326 and the more compact electron and hole densities 314 are available.”