A Self‐Consistent Charge Density‐Functional Based Tight‐Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology

By T. Frauenheim, Gotthard Seifert, M. Elsterner, Z. Hajnal, G. Jungnickel, D. Porezag, Sándor Suhai, R. Scholz. 2000

458 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/56d8d581977da6f39a2332da58355b2ab0a23c4f

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. Miquel Huix-rotllant
2. Mark E. Casida

In Electrical and Electronic Engineering

1. Miquel Huix-rotllant
2. Gotthard Seifert
3. Mark E. Casida

Citations in the corpus

• Density‐functional tight binding—an approximate density‐functional theory method (2012, background): “(9)] decay exponentially with increasing distance from the nuclei at positions Rl and Rj .”
• Progress in time-dependent density-functional theory. (2011, methodology): “t0 ( 〈 [ 0](t′)|i ∂ ∂t′ | [ 0](t′)〉 − E[ 0](t′) ) dt′, (29)”