Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy edited by S. Langhoff.

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Bibliographic Details
Corporate Author: SpringerLink (Online service)
Other Authors: Langhoff, S. (Editor)
Format: eBook
Language:English
Published: Dordrecht : Springer Netherlands : Imprint: Springer, 1995.
Edition:1st ed. 1995.
Series:Understanding Chemical Reactivity ; 13
Springer eBook Collection.
Subjects:
Physical chemistry.
Chemistry, Physical and theoretical.
Atoms.
Physics.
Electronic resources (E-books)
Online Access:Click to view e-book
Holy Cross Note:Loaded electronically.
Electronic access restricted to members of the Holy Cross Community.
Table of Contents:
  • 1 Exact Quantum Chemistry by Monte Carlo Methods
  • 47 Achieving Chemical Accuracy with Coupled-Cluster Theory
  • 109 Magnetic Hyperfine Coupling Constants in Free Radicals
  • 139 Calculation of Accurate Bond Energies, Electron Affinities, and Ionization Energies
  • 173 Accurate Theoretical Studies of Small Elemental Clusters
  • Electronic Spectroscopy of Diatomic Molecules
  • 261 Theoretical Spectoscopy of Small Molecules: Ab Initio Investigations of Vibronic Structure, Spin-Orbit Splittings and Magnetic Hyperfine Effects in the Electronic Spectra of Triatomic Molecules
  • Theoretical Studies of the Electronic Spectra of Organic Molecules.

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