✦ LIBER ✦

Universal gaussian and Slater-type bases for atoms H to Xe based on the generator coordinate Hartree-Fock method

✍ Scribed by da Silva, A.B.F.; da Costa, H.F.M.; Trsic, M.

Book ID: 120710768
Publisher: Taylor and Francis Group
Year: 1989
Tongue: English
Weight: 540 KB
Volume: 68
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268978900102271

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Gaussian- and Slater-type bases for grou

Gaussian- and Slater-type bases for ground and certain low-lying excited states of positive and negative ions of the atoms H through Xe based on the generator coordinate Hartree–Fock method

✍ Silva, A.B.F. da; Trsic, M. 📂 Article 📅 1996 🏛 NRC Research Press 🌐 French ⚖ 414 KB

Adapted Gaussian basis sets for atoms Cs

Adapted Gaussian basis sets for atoms Cs to Lr based on the generator coordinate Hartree-Fock method

✍ Jorge, F. E.; Librelon, P. R.; Neto, A. Canal 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 152 KB 👁 2 views

We have applied a discretized version of the generator coordinate Hartree᎐Fock method to generate adapted Gaussian basis sets for atoms Cs Ž . Ž . Zs55 to Lr Z s 103 . Our Hartree᎐Fock total energy results, for all atoms studied, are better than the corresponding Hartree᎐Fock energy results attained

A universal Gaussian basis set for atoms

A universal Gaussian basis set for atoms cerium through lawrencium generated with the generator coordinate Hartree-Fock method

✍ Jorge, F. E.; De Castro, E. V. R.; Da Silva, A. B. F. 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 124 KB 👁 2 views

The generator coordinate Hartree᎐Fock method is applied to Ž . generate a universal Gaussian basis set for the heavy atoms from Ce Z s 58 Ž . through Lr Z s 103 . The Hartree᎐Fock energies obtained with our universal Gaussian basis set are compared with the new numerical Hartree᎐Fock results of Koga

Universal gaussian and Slater-type basis

Universal gaussian and Slater-type basis sets for atoms He to Ar based on an integral version of the Hartree-Fock equations

✍ da Costa, Herbert F.M.; Trsic, Milan; Mohallem, J.R. 📂 Article 📅 1987 🏛 Taylor and Francis Group 🌐 English ⚖ 237 KB

Generator coordinate Hartree–Fock method

Generator coordinate Hartree–Fock method applied to the choice of a contracted Gaussian basis for the second-row atoms

✍ J. C. Pinheiro; A. B. F. Da Silva; M. Trsic 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 153 KB 👁 2 views

The generator coordinate Hartree᎐Fock GCHF method is employed as a criterion for the selection of a 18 s12 p Gaussian basis for the atoms Na᎐Ar. The role of the weight functions in the assessment of the numerical integration range of the GCHF Ž . equations is shown. The extended basis is then contra