𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On several alternatives for Löwdin orthogonalization

✍ Scribed by Szczepanik, D.; Mrozek, J.

Book ID
120461194
Publisher
Elsevier
Year
2013
Tongue
English
Weight
205 KB
Volume
1008
Category
Article
ISSN
2210-271X

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

On Löwdin orthogonalization
On Löwdin orthogonalization
✍ John G. Aiken; John A. Erdos; Jerome A. Goldstein 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 367 KB

## Abstract It is shown that the Löwdin orthogonalization gives the unique minimum for the functional ϕ measuring the least squares distance between the given orbitals and the orthogonalized orbitals. Furthermore a much stronger result is obtained, namely that ϕ has only one local minimum, which is

On the kashiwagi–sasaki generalization o
On the kashiwagi–sasaki generalization of the löwdin orthogonalization and the inverse vibrational problem
✍ N. F. Stepanov 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 465 KB

## 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 proble

On Löwdin's projection operators for ang
On Löwdin's projection operators for angular momentum. I
✍ Richard J. S. Crossley 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 547 KB

## Abstract Löwdin has presented his angular momentum projection operators in two forms, the sum form deduced from the product form. A direct proof of the sum form is presented here, together with a brief account of application of the technique to the __pd__ configuration.

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