✦ LIBER ✦

Simple Density Functional Approach to Polarizability, Hardness, and Covalent Radius of Atomic Systems

✍ Scribed by Ghanty, Tapan K.; Ghosh, Swapan K.

Book ID: 120358140
Publisher: American Chemical Society
Year: 1994
Tongue: English
Weight: 659 KB
Volume: 98
Category: Article
ISSN: 0022-3654
DOI: 10.1021/j100088a018

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A Frontier Orbital Density Functional Ap

A Frontier Orbital Density Functional Approach to Polarizability, Hardness, Electronegativity, and Covalent Radius of Atomic Systems

✍ Ghanty, Tapan K.; Ghosh, Swapan K. 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 272 KB

A Density Functional Approach to Hardnes

A Density Functional Approach to Hardness, Polarizability, and Valency of Molecules in Chemical Reactions

✍ Ghanty, Tapan K.; Ghosh, Swapan K. 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 288 KB

A new simple approach to the polarizabil

A new simple approach to the polarizability of atoms and ions using frontier orbitals from the Kohn-Sham density functional theory

✍ Tapan K. Ghanty; Swapan K. Ghosh 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 491 KB

Density-Functional Approach to Hardness

Density-Functional Approach to Hardness Evaluation and Its Use in the Study of the Maximum Hardness Principle

✍ Mineva, T.; Sicilia, E.; Russo, N. 📂 Article 📅 1998 🏛 American Chemical Society 🌐 English ⚖ 86 KB

The optimized effective potential method

The optimized effective potential method of density functional theory: Applications to atomic and molecular systems

✍ T. Grabo; E. K. U. Gross 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 211 KB 👁 2 views

Using the optimized effective potential method in conjunction with the semianalytical approximation due to Krieger, Li, and Iafrate, we performed fully selfconsistent exact exchange-only density functional calculations for diatomic molecules with a fully numerical basis-set-free molecular code. The

Density-functional approach to the calcu

Density-functional approach to the calculation of correlation energies of two-electron atoms and ions

✍ Samanta, Alok; Ghosh, Swapan K. 📂 Article 📅 1991 🏛 The American Physical Society 🌐 English ⚖ 131 KB