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Cited by 117 publications
(90 citation statements)
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“…A major advantage of such a parameterized potential function (or force field) is its high computation efficiency, and this form of potential function has been commonly used in the study of the structures of gold clusters since the 1990s. 73,74 A disadvantage of the classical potential function is that the pre-defined parameters are inadequate to fully address electronic effects in gold clusters. The quantum mechanical methods such as density functional theory methods 11,12 yield more genuine PES and have been generally used in studying structures and properties of smallsized gold clusters since the 1970s.…”
Section: Potential Energy Surface and Global Optimization Algorithmsmentioning
confidence: 99%
“…A major advantage of such a parameterized potential function (or force field) is its high computation efficiency, and this form of potential function has been commonly used in the study of the structures of gold clusters since the 1990s. 73,74 A disadvantage of the classical potential function is that the pre-defined parameters are inadequate to fully address electronic effects in gold clusters. The quantum mechanical methods such as density functional theory methods 11,12 yield more genuine PES and have been generally used in studying structures and properties of smallsized gold clusters since the 1970s.…”
Section: Potential Energy Surface and Global Optimization Algorithmsmentioning
confidence: 99%
“…Thus, in parameter-free, electronic-structure calculations, one has to use special, relativistic potentials. With those, the smallest gold clusters are found to be planar [5,8,9,10,11,12,13], whereas their exclusion leads to three-dimensional structures [14,15].…”
Section: Introductionmentioning
confidence: 97%
“…Both the EAM [17,18,19], the Sutton-Chen [14], the Murrell-Mottram [15], and the many-body Gupta potential [20,21,22,23,24,25] (that all share the property of including electronic effects only very approximately) have all been applied in unbiased structure optimizations for gold clusters with up to 80 atoms.…”
Section: Introductionmentioning
confidence: 99%
“…Examples have been found for model clusters interacting with longranged pair potentials, 1,2 and a wide variety of metal clusters. 3,4,5,6,7,8,9,10,11,12,13,14,15,16 For some of these examples, these disordered clusters appear at sizes between the magic numbers for the usual icosahedral, decahedral or face-centred-cubic (fcc) forms, that are typically most stable for materials that are close-packed for bulk; 10,13,14,15 i.e. the disordered structures are more stable than ordered structures with incomplete outer layers.…”
Section: Introductionmentioning
confidence: 99%
“…The example shown in Fig. 3 for Zn 13 can be considered as a polytetrahedral fragment of a 19-atom double icosahedron. It is insightful to examine, why this structure is lower in energy than the 13-atom icosahedron.…”
mentioning
confidence: 99%