Locating multiple self-consistent field solutions: An approach inspired by metadynamics

Physical Review Letters

Volumn 101, Issue 19, 2008, Pages

  Thom, Alex J W ^a   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CURRENT VOLTAGE CHARACTERISTICS;

DISTANCE FUNCTIONS; METADYNAMICS; MULTIPLE SOLUTIONS; NITROGEN MOLECULES; RECONVERGENCE; SELF-CONSISTENT FIELDS;

SOLUTIONS;

EID: 55949111688     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.101.193001     Document Type: Article

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