Quantum Trajectory-Electronic Structure Approach for Exploring Nuclear Effects in the Dynamics of Nanomaterials

2013 ◽  
Vol 9 (12) ◽  
pp. 5221-5235 ◽  
Author(s):  
Sophya Garashchuk ◽  
Jacek Jakowski ◽  
Lei Wang ◽  
Bobby G. Sumpter
1995 ◽  
Vol 52 (3) ◽  
pp. 1618-1630 ◽  
Author(s):  
Alexander A. Demkov ◽  
José Ortega ◽  
Otto F. Sankey ◽  
Matthew P. Grumbach

Computation ◽  
2013 ◽  
Vol 1 (1) ◽  
pp. 16-26 ◽  
Author(s):  
Csaba Szakacs ◽  
Erika Merschrod S. ◽  
Kristin Poduska

2016 ◽  
Vol 18 (21) ◽  
pp. 14390-14400 ◽  
Author(s):  
S. Alarcón Villaseca ◽  
S. V. Levchenko ◽  
M. Armbrüster

CO adsorption on the polar (1̄1̄1̄) surface of the intermetallic compound GaPd is examined withinab initiomethods using an all-electron full-potential electronic structure approach.


2019 ◽  
Vol 4 (4) ◽  
pp. 1251-1258 ◽  
Author(s):  
Anoop Kumar Kushwaha ◽  
Mihir Ranjan Sahoo ◽  
Saroj Kumar Nayak

Sign in / Sign up

Export Citation Format

Share Document