RHF CI INDO Spin density calculation

1979 ◽  
Vol 51 (2) ◽  
pp. 173-174
Author(s):  
J. Tiňo ◽  
V. Klimo
Keyword(s):  
Spin Density ◽  
Density Calculation ◽  
Spin Density Calculation

Comparison of Spin Density Calculation Methods for Various Alkyl-Substituted 9,10-Anthraquinone Anion Radicals in the Solution Phase

1996 ◽  
Vol 34 (11) ◽  
pp. 898-902 ◽  
Author(s):  
Jussi Eloranta ◽  
Virpi Vatanen ◽  
Antti Grönroos ◽  
Mikko Vuolle ◽  
Reijo Mäkelä ◽  
...  
Keyword(s):  
Spin Density ◽  
Solution Phase ◽  
Calculation Methods ◽  
Density Calculation ◽  
Spin Density Calculation ◽  
Anion Radicals

Roothaan INDO CI spin density calculation

1976 ◽  
Vol 37 (2) ◽  
pp. 311-314 ◽  
Author(s):  
Viliam Klimo ◽  
Jozef Tiňo
Keyword(s):  
Spin Density ◽  
Density Calculation ◽  
Spin Density Calculation

An improved Mclachlan type spin density calculation

Tetrahedron ◽  
1979 ◽  
Vol 35 (10) ◽  
pp. 1307-1309 ◽  
Author(s):  
Pascal Devolder
Keyword(s):  
Spin Density ◽  
Density Calculation ◽  
Spin Density Calculation

SPIN DENSITY OF SPIN-FREE VALENCE BOND WAVE FUNCTIONS AND ITS IMPLEMENTATION IN VB2000

2008 ◽  
Vol 07 (04) ◽  
pp. 853-867 ◽  
Author(s):  
JIABO LI ◽  
BRIAN J. DUKE ◽  
THOMAS M. KLAPÖTKE ◽  
ROY MCWEENY
Keyword(s):  
Spin Density ◽  
Valence Bond ◽  
Wave Functions ◽  
Free Valence ◽  
Group Function ◽  
Allyl Radical ◽  
The 1960S ◽  
Spin Density Calculation ◽  
New Formulation ◽  
Spin Densities

The expressions for computing the spin density of spin-free valence bond wave functions are derived based on the bonded tableaux approach. The new expressions, although similar to the original forms given by Cooper and McWeeny in the 1960s, are simpler and thus easier for coding. The new formulation was implemented in VB2000, an ab initio valence bond program based on algebrant algorithm and group function theory. The spin density calculation for multi-group VB wave functions is also briefly discussed. As examples of applications, the spin densities of allyl radical and diazide anion [Formula: see text] were computed at different VB levels.

Spin-density wave

AccessScience ◽  
2015 ◽  
Keyword(s):  
Spin Density ◽  
Density Wave ◽  
Spin Density Wave

The influence of chemical impurities and X-ray induced defects on the single-particle and spin-density wave conductivity in the Bechgaard salts

1991 ◽  
Vol 1 (11) ◽  
pp. 1603-1625 ◽  
Author(s):  
S. Tomić ◽  
J. R. Cooper ◽  
W. Kang ◽  
D. Jérome ◽  
K. Maki
Keyword(s):  
Spin Density ◽  
Single Particle ◽  
Density Wave ◽  
Spin Density Wave ◽  
Bechgaard Salts ◽  
X Ray ◽  
Chemical Impurities ◽  
Induced Defects

Spin density wave scenario in high-Tc cuprates against the stripes scenario

1999 ◽  
Vol 09 (PR10) ◽  
pp. Pr10-327-Pr10-327
Author(s):  
P. Pfeuty ◽  
F. Onufrieva
Keyword(s):  
Spin Density ◽  
Density Wave ◽  
Spin Density Wave ◽  
High Tc ◽  
High Tc Cuprates

Galvanomagnetic properties in the spin-density-wave phase of (TMTSF)2PF6

1999 ◽  
Vol 09 (PR10) ◽  
pp. Pr10-247-Pr10-249 ◽  
Author(s):  
B. Korin-Hamzic ◽  
M. Basletić ◽  
N. Francetić ◽  
A. Hamzić ◽  
K. Bechgaard
Keyword(s):  
Spin Density ◽  
Density Wave ◽  
Spin Density Wave ◽  
Wave Phase ◽  
Galvanomagnetic Properties

Unconventional spin density waves in quasi-one dimensional systems

1999 ◽  
Vol 09 (PR10) ◽  
pp. Pr10-239-Pr10-241
Author(s):  
B. Dóra ◽  
A. Virosztek
Keyword(s):  
Spin Density ◽  
Density Waves ◽  
Spin Density Waves ◽  
One Dimensional

Non-linear spin-density excitations in 1-D organic polymers

1983 ◽  
Vol 44 (8) ◽  
pp. 953-955 ◽  
Author(s):  
C. Aslangul ◽  
D. Saint-James
Keyword(s):  
Spin Density ◽  
Organic Polymers ◽  
Non Linear
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