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On the kashiwagi–sasaki generalization of the löwdin orthogonalization and the inverse vibrational problem

✍ Scribed by N. F. Stepanov

Book ID
104579092
Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
465 KB
Volume
12
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

By use of the pseudo‐inverse matrix technique the generalization of the Löwdin orthogonalization, given by Kashiwagi and Sasaki, is shown to be valid in a case of singular metric matrices for two basis sets of functions. The application of the same idea to the inverse vibrational problem brings about new procedures for solving this problem in an iterative way.

📜 SIMILAR VOLUMES

A note on Löwdin orthogonalization and t
A note on Löwdin orthogonalization and the square root of a positive self-adjoint matrix
✍ D. F. Scofield 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 330 KB

## Abstract A quadratically convergent process using a continued fraction method for finding the square root of the overlap matrix used in Löwdin orthogonalization is presented. The continued fraction method is compared to several other methods for finding the square root of a matrix. The method is