Minimal inter-particle distance in atom clusters
A general method for obtaining minimal interatomic distance in molecule conformation problems is introduced. The method can be applied to a wide family of potential energy functions having reasonable properties. Using this method new lower bounds for the minimal inter-particle distance for the optim...
Elmentve itt :
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2005
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| Sorozat: | Acta cybernetica
17 No. 1 |
| Kulcsszavak: | Számítástechnika, Kibernetika |
| Tárgyszavak: | |
| Online Access: | http://acta.bibl.u-szeged.hu/12756 |
| LEADER | 01252nab a2200217 i 4500 | ||
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| 001 | acta12756 | ||
| 005 | 20220615130625.0 | ||
| 008 | 161015s2005 hu o 0|| eng d | ||
| 022 | |a 0324-721X | ||
| 040 | |a SZTE Egyetemi Kiadványok Repozitórium |b hun | ||
| 041 | |a eng | ||
| 100 | 1 | |a Vinkó Tamás | |
| 245 | 1 | 0 | |a Minimal inter-particle distance in atom clusters |h [elektronikus dokumentum] / |c Vinkó Tamás |
| 260 | |c 2005 | ||
| 300 | |a 107-121 | ||
| 490 | 0 | |a Acta cybernetica |v 17 No. 1 | |
| 520 | 3 | |a A general method for obtaining minimal interatomic distance in molecule conformation problems is introduced. The method can be applied to a wide family of potential energy functions having reasonable properties. Using this method new lower bounds for the minimal inter-particle distance for the optimal Lennard-Jones and Morse potential functions are derived which are independent from the number of atoms. Improved linear lower bounds for the optimal function values for Lennard-Jones and Morse potentials are also given. | |
| 650 | 4 | |a Természettudományok | |
| 650 | 4 | |a Számítás- és információtudomány | |
| 695 | |a Számítástechnika, Kibernetika | ||
| 856 | 4 | 0 | |u http://acta.bibl.u-szeged.hu/12756/1/Vinko_2005_ActaCybernetica.pdf |z Dokumentum-elérés |