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Luminescent materialsa quantum chemical approach for computer-aided discovery and design /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Luminescent materialsby Zoila Barandiaran, Jonas Joos, Luis Seijo.
其他題名:	a quantum chemical approach for computer-aided discovery and design /
作者:	Barandiaran, Zoila.
其他作者:	Joos, Jonas.
出版者:	Cham :Springer International Publishing :2022.
面頁冊數:	xxii, 372 p. :ill. (chiefly col.), digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	Phosphors.
電子資源:	https://doi.org/10.1007/978-3-030-94984-6
ISBN:	9783030949846$q(electronic bk.)

Luminescent materialsa quantum chemical approach for computer-aided discovery and design /
Barandiaran, Zoila.

Luminescent materialsa quantum chemical approach for computer-aided discovery and design /[electronic resource] :by Zoila Barandiaran, Jonas Joos, Luis Seijo. - Cham :Springer International Publishing :2022. - xxii, 372 p. :ill. (chiefly col.), digital ;24 cm. - Springer series in materials science,v. 3222196-2812 ;. - Springer series in materials science ;v. 62..

Introduction -- Ab initio multiconfigurational embedded cluster methods for luminescent materials -- Tutorial: Performing ab initio calculations on complex manifolds of excited states of lanthanides in solids -- Excited state manifolds of luminescent materials -- Fundamental studies on luminescence -- Many-electron state energy diagrams of activators in hosts -- Prospect: Towards computational design of luminescent materials.

This book describes a unique combination of quantum chemical methods for calculating the basic physical properties of luminescent materials, or phosphors. These solid inorganic materials containing an optically active dopant are key players in several major fields of societal interest, including energy-efficient lighting, solar cells, and medical imaging. The novel ab initio methods described in this book are especially designed to target the crowded and complex electronic excited states of lanthanide activators in inorganic solids. The book is well suited to both new and experienced researchers alike and appeals to a broad range of theoretical and experimental backgrounds. The material presented enables an adept understanding of elaborate calculations, which, in tandem with experiments, give essential insight into difficult luminescence problems and quandaries, thus fully preparing the reader for an educated search for new functional luminescent materials.

ISBN: 9783030949846$q(electronic bk.)

Standard No.: 10.1007/978-3-030-94984-6doiSubjects--Topical Terms:

219603
Phosphors.

LC Class. No.: QC476.7

Dewey Class. No.: 620.11295

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505 0 $a Introduction -- Ab initio multiconfigurational embedded cluster methods for luminescent materials -- Tutorial: Performing ab initio calculations on complex manifolds of excited states of lanthanides in solids -- Excited state manifolds of luminescent materials -- Fundamental studies on luminescence -- Many-electron state energy diagrams of activators in hosts -- Prospect: Towards computational design of luminescent materials.
520 $a This book describes a unique combination of quantum chemical methods for calculating the basic physical properties of luminescent materials, or phosphors. These solid inorganic materials containing an optically active dopant are key players in several major fields of societal interest, including energy-efficient lighting, solar cells, and medical imaging. The novel ab initio methods described in this book are especially designed to target the crowded and complex electronic excited states of lanthanide activators in inorganic solids. The book is well suited to both new and experienced researchers alike and appeals to a broad range of theoretical and experimental backgrounds. The material presented enables an adept understanding of elaborate calculations, which, in tandem with experiments, give essential insight into difficult luminescence problems and quandaries, thus fully preparing the reader for an educated search for new functional luminescent materials.
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