Slater-type orbital

Term · Chemistry · MLC-T-CHM-010934

An atomic orbital function whose radial part has the form r^(n-1) exp(-ζr), with the exponent ζ fixed by the effective nuclear charge from Slater's screening rules, which allow for electron repulsion. It has the correct cusp at the nucleus and the exponential decay of hydrogenic orbitals. Multicenter integrals over such functions have no closed form, so most programs expand them in Gaussian functions, as in the STO-3G basis set.

Table 1. Record
Identifier	MLC-T-CHM-010934
Field	Chemistry
Subject	Organic and Biomolecular Chemistry
References	PAC, 1994, 66, 1077. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)' on page 1164 (https://doi.org/10.1351/pac199466051077)
See also	Atomic orbital

Record as JSON

{
  "id": "MLC-T-CHM-010934",
  "term": "Slater-type orbital",
  "field": "Chemistry",
  "definition": "An atomic orbital function whose radial part has the form r^(n-1) exp(-ζr), with the exponent ζ fixed by the effective nuclear charge from Slater's screening rules, which allow for electron repulsion. It has the correct cusp at the nucleus and the exponential decay of hydrogenic orbitals. Multicenter integrals over such functions have no closed form, so most programs expand them in Gaussian functions, as in the STO-3G basis set.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "atomic orbital"
  ],
  "references": [
    "PAC, 1994, 66, 1077. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)' on page 1164 (https://doi.org/10.1351/pac199466051077)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/slater-type-orbital/"
}

Record 11,644 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.