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Electronic and structural properties of CaH2: a pseudopotential study

✍ Scribed by A El Gridani; M El Mouhtadi

Book ID
114141097
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
170 KB
Volume
532
Category
Article
ISSN
0166-1280

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Recent developments in density functional theory (DFT) methods applicable to studies of large periodic systems are outlined. During the past three decades, DFT has become an essential part of computational materials science, addressing problems in materials design and processing. The theory allows u