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Volumn 80, Issue 2, 2009, Pages

Connections between the energy functional and interaction potentials for materials simulations

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EID: 68949118245     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.024104     Document Type: Article
Times cited : (11)

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    • The errors in DFT calculations are no better than the "chemical accuracy" of 1 kcal/mol or about 0.05 eV.
    • The errors in DFT calculations are no better than the "chemical accuracy" of 1 kcal/mol or about 0.05 eV.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.