✦ LIBER ✦

Accurate universal Gaussian basis set for all atoms of the Periodic Table

✍ Scribed by de Castro, E. V. R.; Jorge, F. E.

Book ID: 121758699
Publisher: American Institute of Physics
Year: 1998
Tongue: English
Weight: 241 KB
Volume: 108
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.475959

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Accurate adapted Gaussian basis sets for

Accurate adapted Gaussian basis sets for the atoms from H through Xe

✍ F. E. Jorge; E. P. Muniz 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 133 KB

We have applied the generator coordinate Hartree᎐Fock method to generate adapted Gaussian basis sets for the atoms from H through Xe. The Griffin᎐Hill᎐Wheeler᎐Hartree᎐Fock equations are integrated numerically generating accurate basis sets for these atoms. Our atomic wave functions are an improvemen

Accurate universal gaussian basis set fo

Accurate universal gaussian basis set for helium through calcium generated with the generator coordinate Dirac-Fock method

✍ F.E. Jorge; A.B.F. da Silva 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 486 KB

Accurate universal Gaussian basis set fo

Accurate universal Gaussian basis set for hydrogen through lanthanum generated with the generator coordinate Hartree-Fock method

✍ F.E. Jorge; E.V.R. de Castro; A.B.F. da Silva 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 333 KB

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

On the performance of large Gaussian bas

On the performance of large Gaussian basis sets for the computation of total atomization energies

✍ Martin, J. M. L. 📂 Article 📅 1992 🏛 American Institute of Physics 🌐 English ⚖ 841 KB

Gaussian basis functions for use in mole

Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atoms

✍ T.H. Dunning Jr. 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 500 KB