scholarly journals Regularly decomposable tensors and classical spin states

2017 ◽  
Vol 15 (6) ◽  
pp. 1651-1665
Author(s):  
Liqun Qi ◽  
Guofeng Zhang ◽  
Daniel Braun ◽  
Fabian Bohnet-Waldraff ◽  
Olivier Giraud
Keyword(s):  
2018 ◽  
Vol 9 (1) ◽  
Author(s):  
Thomas Chalopin ◽  
Chayma Bouazza ◽  
Alexandre Evrard ◽  
Vasiliy Makhalov ◽  
Davide Dreon ◽  
...  

2017 ◽  
Vol 95 (1) ◽  
Author(s):  
F. Bohnet-Waldraff ◽  
O. Giraud ◽  
D. Braun
Keyword(s):  

1980 ◽  
Vol 41 (C10) ◽  
pp. C10-143-C10-154 ◽  
Author(s):  
A. Faessler

2020 ◽  
Author(s):  
Pierpaolo Morgante ◽  
Roberto Peverati

<div><div><div><p>In this Letter, we introduce a new database called carbon long bond 18 (CLB18), composed of 18 structures with one long C–C bond. We use this new database to evaluate the performance of several low-cost methods commonly used for geometry optimization of medium and large molecules. We found that the long bonds in CLB18 are electronically different from those found in barrier heights databases. We also report the unexpected correlation between the results of CLB18 and those of the energetics of spin states in transition-metal complexes. Given this unique property, CLB18 can be a useful tool for assessing existing electronic structure calculation methods and developing new ones.</p></div></div></div>


2000 ◽  
Vol 61 (17) ◽  
pp. 11521-11528 ◽  
Author(s):  
Sergio A. Cannas ◽  
A. C. N. de Magalhães ◽  
Francisco A. Tamarit

2021 ◽  
Vol 103 (10) ◽  
Author(s):  
Tharathep Plienbumrung ◽  
Maria Daghofer ◽  
Andrzej M. Oleś

1983 ◽  
Vol 27 (5) ◽  
pp. 2414-2416 ◽  
Author(s):  
W. Bauhoff ◽  
H. Schultheis ◽  
R. Schultheis

1987 ◽  
Vol 262 (22) ◽  
pp. 10524-10531 ◽  
Author(s):  
R J Kulmacz ◽  
A L Tsai ◽  
G Palmer

Sign in / Sign up

Export Citation Format

Share Document