قارن الطرق
راجع الطرق التي اخترتها جنبًا إلى جنب؛ الصفوف المختلفة مميَّزة.
| نظرية الكثافة الوظيفية× | نظرية مولر-بليست الاضطرابية× | |
|---|---|---|
| المجال | الحوسبة الكمومية | الحوسبة الكمومية |
| العائلة | Machine learning | Machine learning |
| سنة النشأة≠ | 1965 | 1934 |
| صاحب الطريقة≠ | Walter Kohn | Christian Möller and Milton Plesset |
| النوع≠ | Electronic structure method | Post-Hartree-Fock method |
| المصدر التأسيسي≠ | Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗ | Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. link ↗ |
| الأسماء البديلة≠ | DFT, Kohn-Sham equations | MP2, MP3, MP4 |
| ذات صلة≠ | 4 | 3 |
| الملخص≠ | Density Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems. | Möller-Plesset perturbation theory is a post-Hartree-Fock method that systematically corrects the HF reference by treating electron correlation as a perturbation. Introduced in 1934, MP theory provides increasingly accurate energy estimates (MP2, MP3, MP4, ...) by expanding the correlation energy in orders of perturbation. |
| ScholarGateمجموعة البيانات ↗ |
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