Theoretical studies on the structures and properties of superheavy element compoundsстатья
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Дата последнего поиска статьи во внешних источниках: 28 мая 2015 г.
Авторы:
Zaitsevskii A.V. ,
Rykova E.A.,
Titov A.V.
Журнал:
Russian Chemical Reviews
Том:
77
Номер:
3
Год издания:
2008
Издательство:
Turpion - Moscow Ltd.
Местоположение издательства:
United Kingdom
Первая страница:
205
Последняя страница:
218
DOI:
10.1070/RC2008v077n03ABEH003773
Аннотация:
An analysis of theoretical studies on the electronic structures and chemical properties of superheavy elements has been performed. It is noted that the specific features of calculations of molecular systems including superheavy element atoms are determined by the exceptional role of relativistic effects that should be taken into account at all stages of electronic structure modelling. The main approximations for relativistic Hamiltonians and general approaches to the solution of the many-electron problem for both superheavy element atoms and their compounds have been considered and compared. The results of modelling the chemical properties of superheavy elements by ab initio methods and density functional theory have been analysed. The bibliography includes 143 references. © 2008 Russian Academy of Sciences and Turpion Ltd.
Добавил в систему:
Зайцевский Андрей Вениаминович