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90页PPT,说清DFT密度泛函理论!

  • 2026-08-24 21:24:14
90页PPT,说清DFT密度泛函理论!
还在纠结计算材料的能带和电子结构怎么分析？这份“90页量子化学中的DFT理论PPT”干货简直是科研党福音！吃透DFT底层逻辑精准搞定量化计算！
✅ 从头算起：涵盖DFT基本概念、LDA/GGA优缺点分析，以及各类交换相关泛函的详细解析！
✅ 直击痛点：深刻剖析电子-电子相互作用，连Hartree-Fock近似的缺陷以及带隙偏小的问题都给你总结得明明白白！
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  1. CONNECT:[ UseTime:0.001076s ] mysql:host=127.0.0.1;port=3306;dbname=h_sjds;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.001802s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000884s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.007566s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.001414s ]
  6. SELECT * FROM `set` [ RunTime:0.009512s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.001671s ]
  8. SELECT * FROM `article` WHERE `id` = 551910 LIMIT 1 [ RunTime:0.001048s ]
  9. UPDATE `article` SET `lasttime` = 1787657160 WHERE `id` = 551910 [ RunTime:0.027247s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.013995s ]
  11. SELECT * FROM `article` WHERE `id` < 551910 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.001095s ]
  12. SELECT * FROM `article` WHERE `id` > 551910 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.001061s ]
  13. SELECT * FROM `article` WHERE `id` < 551910 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.005400s ]
  14. SELECT * FROM `article` WHERE `id` < 551910 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.018493s ]
  15. SELECT * FROM `article` WHERE `id` < 551910 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.010061s ]
0.285614s