ZIB

Hits per page

hit 1 - 1 | 1 hit

Select All Export

Electronic Resource

Perspective on “New developments in molecular orbital theory” (2000)

Zerner, Michael C.

Springer

Theoretical chemistry accounts 103 (2000), S. 217-218

add to mindlist on the mindlist

Details

ISSN: 1432-2234

Keywords: Key words: Roothaan equation – Roothaan–Hall – Hartree–Fock – Roothaan self-consistent field

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract. This paper reviews the title article by Clemens Roothaan and the huge impact that his paper has had in modern chemistry. In his paper Roothaan converts the molecular Schödinger equation into a matrix equation by systematically introducing the linear combination of atomic orbitals–molecular orbital approximation and by invoking the variational principle.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/s002149900010

Library	Location	Call Number	Volume/Issue/Year	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

hit 1 - 1 | 1 hit