SCOPUS 정보 검색 플랫폼

Volumn 64, Issue 20, 2001, Pages

Mask-function real-space implementations of nonlocal pseudopotentials

Author keywords

[No Author keywords available]

Indexed keywords

ACCURACY; ANALYTIC METHOD; ARTICLE; CALCULATION; ELECTRIC POTENTIAL; FOURIER ANALYSIS; MATHEMATICAL ANALYSIS; SIMULATION; WAVEFORM;

EID: 0035890711 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.64.201107 Document Type: Article

Times cited : (23)

References (13)

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- Rappe, A.M.¹ Rabe, K.M.² Kaxiras, E.³ Joannopoulos, J.D.⁴

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7
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- King-Smith, R.D.¹ Payne, M.C.² Lin, J.S.³

10
- 85038922007
- Note that, in the King-Smith method of Eq. (2), the (Formula presented) components of (Formula presented) could be within (Formula presented) while in Eq. (4), the components for (Formula presented) is within (Formula presented) One cannot conclude that the King-Smith method is more accurate than the current method, since the causes for real space projector localizations are completely different in these two approaches. The accuracy should be judged based on the numerical tests given in the text
- Note that, in the King-Smith method of Eq. (2), the (Formula presented) components of (Formula presented) could be within (Formula presented) while in Eq. (4), the components for (Formula presented) is within (Formula presented) One cannot conclude that the King-Smith method is more accurate than the current method, since the causes for real space projector localizations are completely different in these two approaches. The accuracy should be judged based on the numerical tests given in the text.

11
- 85038946826
- http://www.nersc.gov/(Formula presented) linwang/PEtot/PEtot.html
- http://www.nersc.gov/(Formula presented) linwang/PEtot/PEtot.html

12
- 85038952376
- Due to periodicity of the system, the resulting (Formula presented) might depends on the overall size of the system using this approach. However, as long as the size of the periodic supercell is much larger than (Formula presented) we find this dependence is extremely small
- Due to periodicity of the system, the resulting (Formula presented) might depends on the overall size of the system using this approach. However, as long as the size of the periodic supercell is much larger than (Formula presented) we find this dependence is extremely small.

13
- 85038967583
- The mask function (Formula presented) can be downloaded from the PEtot home page
- The mask function (Formula presented) can be downloaded from the PEtot home page.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.