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Physical Review Letters

Volumn 104, Issue 18, 2010, Pages

Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations

(6) Esler, K P a,b Cohen, R E a Militzer, B c Kim, Jeongnim b Needs, R J d Towler, M D d

a GEOPHYSICAL LABORATORY (United States)

b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN (United States)

c UNIVERSITY OF CALIFORNIA (United States)

d UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ANHARMONIC; EQUATION OF STATE; EXPERIMENTAL APPROACHES; FUNCTION OF PRESSURE; HIGH-ACCURACY; OPTICAL PRESSURE; PRESSURE CALIBRATION; PSEUDOPOTENTIALS; QMC METHOD; QUANTUM MONTE CARLO CALCULATIONS; QUANTUM MONTE CARLO METHODS; RAMAN FREQUENCY SHIFTS; ULTRA-HIGH;

APPROXIMATION THEORY; BORON; BORON NITRIDE; CALIBRATION; EQUATIONS OF STATE; MONTE CARLO METHODS; NITRIDES; QUANTUM THEORY; SYSTEMATIC ERRORS;

DENSITY FUNCTIONAL THEORY;

EID: 77951926943 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.104.185702 Document Type: Article

Times cited : (34)

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