Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts

Book Overview

From the content: Preface.- Local random phase approximation with projected oscillator orbitals.- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states.- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.

• Format: Paperback
• Language: English
• ISBN: 3662570378
• ISBN13: 9783662570371
• Release Date: May 2018
• Publisher: Springer
• Length: 266 Pages
• Weight: 1.37 lbs.
• Dimensions: 0.6" x 8.3" x 11.0"