دورية أكاديمية

Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functions

التفاصيل البيبلوغرافية
العنوان: Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functions
المؤلفون: Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui
المصدر: Communications Chemistry, Vol 5, Iss 1, Pp 1-13 (2022)
بيانات النشر: Nature Portfolio, 2022.
سنة النشر: 2022
المجموعة: LCC:Chemistry
مصطلحات موضوعية: Chemistry, QD1-999
الوصف: Adiabatic state preparation (ASP) can generate correlated wave functions for quantum chemical calculations, but is inherently unsuitable for studying strongly correlated systems. Here, the authors perform numerical simulations of ASP for the ground state wave functions of molecules with strongly correlated electrons and propose practical conditions for preparation of close-to-exact correlated wave functions.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2399-3669
Relation: https://doaj.org/toc/2399-3669
DOI: 10.1038/s42004-022-00701-8
URL الوصول: https://doaj.org/article/526a5ccd2bcd41afbf42f9c3a945f45e
رقم الأكسشن: edsdoj.526a5ccd2bcd41afbf42f9c3a945f45e
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:23993669
DOI:10.1038/s42004-022-00701-8