𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Convergence and energy bounding properties of the Nosanow cluster expansion

✍ Scribed by S. B. Trickey; J. Nuttall

Publisher
Springer US
Year
1969
Tongue
English
Weight
511 KB
Volume
1
Category
Article
ISSN
0022-2291

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Symmetry forcing and convergence propert
Symmetry forcing and convergence properties of perturbation expansions for molecular interaction energies
✍ Bogumił Jeziorski; Krzysztof Szalewicz; Grzegorz Chałasiński 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 907 KB

## Abstract The convergence properties of perturbation theories for molecular interaction energies are tested by performing high‐accuracy high‐order numerical calculations for a ground‐state hydrogen atom interacting with a proton. It is shown that a strong symmetry forcing used in the Eisenschitz‐

Convergence properties and large-order b
Convergence properties and large-order behavior of the polarization expansion for the interaction energy of hydrogen atoms
✍ T. Ćwiok; B. Jeziorski; W. Kołos; R. Moszynski; J. Rychlewski; K. Szalewicz 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 872 KB

High-order corrections in the polarization expansion for the interaction energy of two ground-state hydrogen atoms are computed for a wide range of interatomic distances R. At large R, the convergence radius p of the expansion is found to be only slightly greater than unity, e.g. p= 1.0000000031 at

Cluster expansion of the wavefunction: I
Cluster expansion of the wavefunction: Ionizations and some low-energy excitations of naphthalene
✍ H. Nakatsuji; M. Komori; O. Kitao 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 358 KB

Ionizations and some lower singlet valence and Rydberg excitations of naphthalene are studied by the SAC/SAC CI method with 100 (44 n + 56 o) active MOs. A systematic assignment of the ionization spectra is given. In particular, assignments are given for the peaks in the 13-20 eV region. A large o-e

On the convergence properties of the Ray
On the convergence properties of the Rayleigh–Schrödinger and the Hirschfelder–Silbey perturbation expansions for molecular interaction energies
✍ Grzegorz Chałasiński; Bogumił Jeziorski; Krzysztof Szalewicz 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 616 KB

## Abstract The Rayleigh–Schrödinger polarization and the Hirschfelder–Silbey (HS) perturbation theories are applied, through the 38th order, to the interaction of a ground‐state hydrogen atom with a proton. The calculations were made with high precision using a large basis set of orbitals expresse