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Квантовая Ñ Ð¸Ð¼Ð¸Ñ. Теория функционалов плотности

учебное пособие
descriptionPublicationkeyboard_double_arrow_right Other literature type 01 Jan 2020 Russian Publisher:Санкт-Петербургский политехнический университет Петра Великого

doi: 10.18720/spbpu/2/s20-58

Квантовая Ñ Ð¸Ð¼Ð¸Ñ. Теория функционалов плотности

Abstract

Учебное пособие соответствует образовательному стандарту высшего образования Федерального государственного автономного образовательного учреждения высшего образования «Санкт-Петербургский Ð¿Ð¾Ð»Ð¸Ñ‚ÐµÑ Ð½Ð¸Ñ‡ÐµÑÐºÐ¸Ð¹ университет Петра Великого» по направлению подготовки бакалавров 03.03.02_02 Â«Ð‘Ð¸Ð¾Ñ Ð¸Ð¼Ð¸Ñ‡ÐµÑÐºÐ°Ñ физика», по дисциплине «Квантовая Ñ Ð¸Ð¼Ð¸ÑÂ». Рассматривается один из наиболее Ð¿ÐµÑ€ÑÐ¿ÐµÐºÑ‚Ð¸Ð²Ð½Ñ‹Ñ Ð¸ интенсивно Ñ€Ð°Ð·Ð²Ð¸Ð²Ð°ÑŽÑ‰Ð¸Ñ ÑÑ разделов современно квантовой Ñ Ð¸Ð¼Ð¸Ð¸ – теория функционалов плотности. Обсуждаются основные понятия, сформулирован и доказан ряд Ñ„ÑƒÐ½Ð´Ð°Ð¼ÐµÐ½Ñ‚Ð°Ð»ÑŒÐ½Ñ‹Ñ Ñ‚ÐµÐ¾Ñ€ÐµÐ¼. Подробно рассмотрен метод Кона-Шема, являющийся альтернативой более традиционному Ð¿Ð¾Ð´Ñ Ð¾Ð´Ñƒ, основанному на использовании метода Хартри-Фока. Проанализирован выбор и применение Ñ€Ð°Ð·Ð»Ð¸Ñ‡Ð½Ñ‹Ñ Ñ‚Ð¸Ð¿Ð¾Ð² обменно-ÐºÐ¾Ñ€Ñ€ÐµÐ»ÑÑ†Ð¸Ð¾Ð½Ð½Ñ‹Ñ Ñ„ÑƒÐ½ÐºÑ†Ð¸Ð¾Ð½Ð°Ð»Ð¾Ð². Предназначено для студентов, аспирантов, преподавателей Ñ Ð¸Ð¼Ð¸Ñ‡ÐµÑÐºÐ¸Ñ , Ð±Ð¸Ð¾Ñ„Ð¸Ð·Ð¸Ñ‡ÐµÑÐºÐ¸Ñ , Ð±Ð¸Ð¾Ñ Ð¸Ð¼Ð¸Ñ‡ÐµÑÐºÐ¸Ñ , Ð±Ð¸Ð¾Ð¼ÐµÐ´Ð¸Ñ†Ð¸Ð½ÑÐºÐ¸Ñ ÑÐ¿ÐµÑ†Ð¸Ð°Ð»ÑŒÐ½Ð¾ÑÑ‚ÐµÐ¹ вузов.

Keywords

Квантовая Ñ Ð¸Ð¼Ð¸Ñ

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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Average
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