SCOPUS 정보 검색 플랫폼

7
- 26344466158
- Bonding and disorder in liquid silicon
- ibid
- (1989) Physical Review Letters , vol.63 , pp. 2240
- Stich, I.¹ Car, R.² Parrinello, M.³

8
- 0000625523
- Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation
- (1989) Physical Review B , vol.39 , pp. 4997
- Stich, I.¹ Car, R.² Parrinello, M.³ Baroni, S.⁴

11
- 84927864595
- Solar Energy Research Institute Technical
- (1982)
- Bendt, P.¹ Zunger, A.²

13
- 0001550976
- (1990) Phys. Rev. B , vol.41 , pp. 907
- Bylander, D.M.¹ Kleinman, L.²

16
- 0346733361
- (1990) Phys. Rev. B , vol.42 , pp. 8858
- Goedeker, S.¹ Maschke, K.²

19
- 84927864592
- Fritz-Haber-Institut Research
- (1990)
- Stumpf, R.¹ Gonze, X.² Scheffler, M.³

24
- 84927864591
- A. Messiah, Quantum Mechanics, Volume 1 (North-Holland, Amsterdam, 1974), pp. 98–111.

26
- 84927864590
- Independently of us, D. Vanderbilt also used this algorithm to get the results of Ref. 9 (private communication).

27
- 84927864589
- The reference wave functions ulup10 ps, eigenstates of the one-dimensional local Hamiltonian, can be shown to be real. Nevertheless, for the sake of generality, we have written Eq. (24) as if they were complex, and have kept this option in the whole paper.

28
- 84927864588
- Using the concepts developed in Ref. 12 and the present paper, the modification of the large KB energy to a more reasonable value (<300 eV) is easy, in addition to restoring a good convergence rate for the Car-Parrinello algorithm.

30
- 84927864587
- In Ref. 14, ``ccd'' for Se is equal to 2.0. In order to explain the apparent discrepancy between the KB energies in Fig. 4 of Ref. 12 and the values quoted in Table I, the following facts should be pointed out. Bachelet, Hamann, and Schlüter (Ref. 14) state to determine rmax as the mean value of the spin-up and spin-down wave-functions maxima. We found, however, that they used the smaller value of both, i.e., the spin-up result. In order to construct Fig. 4 of Ref. 12, the procedure described in Ref. 12 was used, with a different rmax for spin-up and spin-down components. This is one difference between the results from Ref. 14 (used in Table I) and in Fig. 4 of Ref. 12. The other significant difference is that in Ref. 12 quadruple precision arithmetic was used in order to become numerically stable in the inversion of the Schrödinger equation.

31
- 10644250257
- (1964) Phys. Rev. , vol.136 , pp. B864
- Hohenberg, P.¹ Kohn, W.²

33
- 33744691386
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

34
- 26144450583
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

35
- 33645608533
- (1979) J. Phys. C , vol.12 , pp. 4409
- Ihm, J.¹ Zunger, A.² Cohen, M.L.³

36
- 1842816907
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.