Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method
نویسندگان
چکیده
منابع مشابه
Systematic Study of Selected Diagonalization Methods for Configuration Interaction Matrices
Several modifications to the Davidson algorithm are systematically explored to establish their performance for an assortment of configuration interaction (CI) computations. The combination of a generalized Davidson method, a periodic two-vector subspace collapse, and a blocked Davidson approach for multiple roots is determined to retain the convergence characteristics of the full subspace metho...
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این مطالعه به دو روش کمی و کیفی و با هدف بررسی استراتژی های فراشناختی فراگیران زبان انگلیسی به عنوان زبان خارجی در دو آزمون نوشتن و نوشتن ترکیبی انجام پذیرفت. در بخش کمی برای سنجش میزان استراتژی های فراشناختی از یک پرسشنامه که بر اساس مدل بکمن و پالمر (1996) ساخته شده بود استفاده شد. پایایی و روایی سازه ی پرسشنامه هنگام مطالعه ی پایلوت و روایی محتوای آن با جمع آوری نظرات نُه متخصص در رشته سنجیده...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2020
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.8b00536