Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory

Physical Review Letters

Volumn 101, Issue 9, 2008, Pages

  Alonso, J L ^a   Andrade, X ^b   Echenique, P ^a   Falceto, F ^a   Prada Gracia, D ^a   Rubio, A ^b  

^a UNIVERSITY OF ZARAGOZA   (Spain)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFERENCE EQUATIONS; EQUATIONS OF MOTION; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; WAVE FUNCTIONS;

AB INITIO MOLECULAR DYNAMICS; EHRENFEST DYNAMICS;

DYNAMICS;

EID: 50649084083     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.101.096403     Document Type: Article

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