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On an eigenvalue problem arising in chemistry

✍ Scribed by René P. Sperb


Book ID
105015942
Publisher
Springer
Year
1981
Tongue
English
Weight
550 KB
Volume
32
Category
Article
ISSN
0044-2275

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The generalized eigenvalue problem in qu
✍ Brian Ford; George Hall 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 689 KB

The matrix form of the molecular orbital equations is that of a generalized eigenvalue eq~iation, when the basis functions are non-orthogonal. Five algorithms for the reduction of this equation to standardẽigenvalue form are analysed and compared. The behaviour of the algorithms as the overlap matri