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Department Colloquium on 26/09/1396(17/12/2017)

کاربرد لیزر در چشم پزشکی و برش نگاری همدوس اپتیکی
دکتر احمد امجدی
يکشنبه 26 آذر ماه 1396 ساعت 13:30 - 14:30

Department Colloquium on 26/09/1396(17/12/2017)

شرایط اوليه برای کيهان قابل زیست
دکتر سهراب راهوار
يکشنبه 26 آذر ماه 1396 ساعت 15:00 - 15:45

Department Colloquium on 26/09/1396(17/12/2017)

تشخیص بیماریهای خونی با اندازه گيری خواص مکانیکی در حد تک سلولی
دکتر سيد نادر سید ریحانی
يکشنبه 26 آذر ماه 1396 ساعت 15:45 - 16:30

Department Colloquium on 19/09/1396(10/12/2017)

Solutions of Fuzzy LR Linear Systems Using Optimization Models
نظام الدين مهدوی امیری
يکشنبه 19 آذر ماه 1396 ساعت 13:30

Department Colloquium on 12/09/1396 (03/12/2017)

مکانيک کوانتومی، تا چه حد؟!!
صادق رئیسی
يکشنبه 12 آذر ماه 1396 ساعت 13:30

Department Colloquium on 05/09/1396 (26/11/2017)

رمزنگاری از دوران باستان تا عصر کوانتومی
وحید کریمی پور
يکشنبه 5 آذر ماه 1396 ساعت 13:30

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Weekly Seminar of Strongly Correlated Systems

Daubechies wavelets for electronic structure calculations

Speaker: Alireza Ghasemi (Department of Physics, University of Basel, Switzerland)

Time: Monday Mehr. 18 1390 at 13:30-14:30

Location: Physics Auditorium

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Density functional theory is the most popular approach among ab initio methods. Even though it is well established in many-body quantum mechanics, it can be computationally very costly. As in every first principle calculations, the Kohn-Sham orbitals in density functional calculations are expanded in terms of basis functions which usually are plane waves or Gaussian-based functions. Daubechies wavelets are a powerful systematic basis set for electronic structure calculations because they are orthogonal and localized both in real and Fourier space. In this presentation, it is describe in detail how this basis set can be used to obtain a highly efficient and accurate method for density functional electronic structure calculations.