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【求助】Brich–Murnaghan’s equation of state(B–M EOS)拟合V–E curves 曲线
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The total energy E of MgO and SrO has been calculated at different primitive cell volume. Under ambient condition,the equilibrium volume V0, the bulk modulus B0 and its pressure derivative B00were estimated by leastsquares fit of calculated V–E curves to the integrated form of the third-order Brich–Murnaghan’s equation of state(B–M EOS) 请问怎么Brich–Murnaghan’s equation of state(B–M EOS)拟合V–E curves 曲线的？ 那儿诶高手知道请指点。谢谢 [search](B–M EOS)拟合V–E curves[/search] [ Last edited by lei0736 on 2008-7-1 at 09:29 ] |
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acridine
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2楼2008-06-27 15:28:00
3楼2008-06-27 16:28:24
acridine
木虫 (正式写手)
- 1ST强帖: 11
- 应助: 13 (小学生)
- 金币: 4901.6
- 红花: 13
- 帖子: 706
- 在线: 389.5小时
- 虫号: 305478
- 注册: 2006-12-10
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
4楼2008-06-27 21:33:51
5楼2008-06-28 10:14:28
