✦ LIBER ✦

Bifurcation theoretic analysis of discrete-continuum coupling in atomic and molecular systems

✍ Scribed by A. Lami; N. K. Rahman

Book ID: 112896708
Publisher: Società Italiana di Fisica
Year: 1984
Weight: 257 KB
Volume: 39
Category: Article
ISSN: 0375-930X
DOI: 10.1007/bf02800291

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Modeling of Heavy-Atom–Ligand NMR Spin–S

Modeling of Heavy-Atom–Ligand NMR Spin–Spin Coupling in Solution: Molecular Dynamics Study and Natural Bond Orbital Analysis of HgC Coupling Constants

✍ Shaohui Zheng; Jochen Autschbach 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 496 KB 👁 1 views

Proton Strong Coupling in Heteronuclear

Proton Strong Coupling in Heteronuclear Systems. Theoretical and Experimental Evaluation in Quantitative Analysis of SQC NOESY Spectra of Biopolymers

✍ G. Esposito; F. Fogolari; H. Molinari; M. Pegna; L. Zetta 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 657 KB

Correlation problems in atomic and molec

Correlation problems in atomic and molecular systems. VII. Application of the open-shell coupled-cluster approach to simple π-electron model systems

✍ M. Saute; J. Paldus; J. C̆íz̆ek 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 716 KB

## Abstract The coupled‐cluster variational‐like direct approach to the calculation of ionization and electron attachment energies and of excitation energies is applied to several π‐electron model systems, using the PPP Hamiltonian with various parametrizations. A simple approximation, which repres

Density functional theory calculations o

Density functional theory calculations of magnetic coupling in systems containing organic molecules and transition metal atoms: natural magnetic orbital analysis

✍ I. Lado-Touriño; F. Tsobnang 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 580 KB

Perspective on “On the correlation probl

Perspective on “On the correlation problem in atomic and molecular systems. Calculation of wavefunction components in Ursell-type expansion using quantum-field theoretical methods”

✍ Rodney J. Bartlett 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 72 KB

Correlation problems in atomic and molec

Correlation problems in atomic and molecular systems III. Rederivation of the coupled-pair many-electron theory using the traditional quantum chemical methodst

✍ J. Čižek; J. Paldus 📂 Article 📅 1971 🏛 John Wiley and Sons 🌐 English ⚖ 856 KB