4.7 Article

Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Controlling spin contamination using constrained density functional theory

J. R. Schmidt et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Materials Science, Multidisciplinary

Nonadiabatic potential-energy surfaces by constrained density-functional theory

Joerg Behler et al.

PHYSICAL REVIEW B (2007)

Article Physics, Multidisciplinary

Trajectory surface hopping within linear response time-dependent density-functional theory

Enrico Tapavicza et al.

PHYSICAL REVIEW LETTERS (2007)

Article Chemistry, Physical

Electronic excitations induced by surface reactions of H and D on gold

Beate Mildner et al.

CHEMICAL PHYSICS LETTERS (2006)

Article Chemistry, Physical

Extracting electron transfer coupling elements from constrained density functional theory

Qin Wu et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Vibrational relaxation of NO on Au(111) via electron-hole pair generation

Neil Shenvi et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Physics, Multidisciplinary

Time-domain ab initio simulation of electron and hole relaxation dynamics in a single-wall semiconducting carbon nanotube

Bradley F. Habenicht et al.

PHYSICAL REVIEW LETTERS (2006)

Article Chemistry, Physical

Vibrationally promoted electron emission from low work-function metal surfaces

JD White et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Physics, Multidisciplinary

Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics

CF Craig et al.

PHYSICAL REVIEW LETTERS (2005)

Article Chemistry, Physical

Non-Born-Oppenheimer trajectories with self-consistent decay of mixing

CY Zhu et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Physics, Multidisciplinary

Nonadiabatic Car-Parrinello molecular dynamics

NL Doltsinis et al.

PHYSICAL REVIEW LETTERS (2002)

Article Multidisciplinary Sciences

Chemically induced electronic excitations at metal surfaces

B Gergen et al.

SCIENCE (2001)

Article Multidisciplinary Sciences

Vibrational promotion of electron transfer

YH Huang et al.

SCIENCE (2000)