Report
Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model
| العنوان: | Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model |
|---|---|
| المؤلفون: | De Baerdemacker, Stijn, Ayati, Amir, Burton, Hugh G. A., De Vriendt, Xeno, Bultinck, Patrick, Acke, Guillaume |
| سنة النشر: | 2023 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Strongly Correlated Electrons, Physics - Chemical Physics |
| الوصف: | We present a mathematical analysis of the spin-constrained Hartree-Fock solutions (CHF) of the 2-site Hubbard model. The analysis sheds light on the spin symmetry breaking process around the Coulson-Fischer point. CHF states are useful as input states for the Generator Coordinate Method (GCM) in which CHF states can be used as a basis for multiconfigurational calculations in the Hill-Wheeler equations. The spin degree of freedom provides the generator coordinate in the GCM related to static electron correlation. |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2301.07865 |
| رقم الانضمام: | edsarx.2301.07865 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |