The SCC-DFTB method and its application to biological systems

By Marcus Elstner. 2006

347 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Physical and Theoretical Chemistry

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. Hans Senn
2. Maurizio Persico
3. Giovanni Granucci
4. Felix Plasser
5. Hans Lischka
6. Jirí Pittner
7. Matthias Ruckenbauer
8. Walter Thiel

In Electrical and Electronic Engineering

1. Jirí Pittner
2. Walter Thiel
3. Hans Senn
4. Hans Lischka
5. Matthias Ruckenbauer
6. Mario Barbatti
7. Maurizio Persico
8. Felix Plasser

In Physical and Theoretical Chemistry

1. Hans Senn
2. Jirí Pittner
3. Walter Thiel
4. Hans Lischka
5. Matthias Ruckenbauer
6. Mario Barbatti
7. Maurizio Persico
8. Felix Plasser

Citations in the corpus

• Newton‐X: a surface‐hopping program for nonadiabatic molecular dynamics (2014, methodology): “Adiabatic dynamics can be performed with the previous programs and with DFTB. 37 The quantum-mechanical programs can be used for spectrum simulations with all previously mentioned methods and also with DFT-MRCI.”
• Density functional tight binding: application to organic and biological molecules (2014, neutral): “(4) The E3 term consists of diagonal and offdiagonal contributions.”
• QM/MM Methods for Biological Systems (2006, methodology): “Especially in the context of biomolecular QM/MM studies [115, 152, 153, 739], the semi-empirical, DFT-inspired SCCDFTB (self-consistent-charge density-functional tight-binding [154]) method due to Elstner and co-workers appears promising because it approaches, within the validity domain of the param”