A microscopic basis for the global appearance of energy landscapes

被引:176
作者
Wales, DJ [1 ]
机构
[1] Univ Cambridge, Chem Lab, Cambridge CB2 1EW, England
关键词
D O I
10.1126/science.1062565
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
It is shown that the appearance of a multidimensional potential energy surface, or potential energy landscape, can be related to the form of the interatomic or intermolecular potential. Catastrophe theory enables us to describe how the geometry of the surface changes with parameters in the potential, and provides universal scaling relations that explain, for example, the asymmetric reaction profiles observed for systems bound by long-range forces. The principal result is an unexpected connection between barrier heights, path lengths, and vibrational frequencies, with applications to a wide variety of problems in chemical physics, ranging from Hammond's postulate in organic chemistry, to the relaxation dynamics of complex systems such as glasses and biomolecules.
引用
收藏
页码:2067 / 2070
页数:4
相关论文
共 32 条
[1]   ANOMALOUS LOW-TEMPERATURE THERMAL PROPERTIES OF GLASSES AND SPIN GLASSES [J].
ANDERSON, PW ;
HALPERIN, BI ;
VARMA, CM .
PHILOSOPHICAL MAGAZINE, 1972, 25 (01) :1-&
[2]   Ten questions on glassformers, and a real space 'excitations' model with some answers on fragility and phase transitions [J].
Angell, CA .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2000, 12 (29) :6463-6475
[3]   FORMATION OF GLASSES FROM LIQUIDS AND BIOPOLYMERS [J].
ANGELL, CA .
SCIENCE, 1995, 267 (5206) :1924-1935
[4]   From topographies to dynamics on multidimensional potential energy surfaces of atomic clusters [J].
Ball, KD ;
Berry, RS ;
Kunz, RE ;
Li, FY ;
Proykova, A ;
Wales, DJ .
SCIENCE, 1996, 271 (5251) :963-966
[5]   Linking topography of its potential surface with the dynamics of folding of a protein model [J].
Berry, RS ;
Elmaci, N ;
Rose, JP ;
Vekhter, B .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1997, 94 (18) :9520-9524
[6]   HOW THE RANGE OF PAIR INTERACTIONS GOVERNS FEATURES OF MULTIDIMENSIONAL POTENTIALS [J].
BRAIER, PA ;
BERRY, RS ;
WALES, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (12) :8745-8756
[7]   FUNNELS, PATHWAYS, AND THE ENERGY LANDSCAPE OF PROTEIN-FOLDING - A SYNTHESIS [J].
BRYNGELSON, JD ;
ONUCHIC, JN ;
SOCCI, ND ;
WOLYNES, PG .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 1995, 21 (03) :167-195
[8]   The effect of the range of the potential on the structure and stability of simple liquids: From clusters to bulk, from sodium to C-60 [J].
Doye, JPK ;
Wales, DJ .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1996, 29 (21) :4859-4894
[9]   The structure and stability of atomic liquids: From clusters to bulk [J].
Doye, JPK ;
Wales, DJ .
SCIENCE, 1996, 271 (5248) :484-487
[10]   Structural consequences of the range of the interatomic potential - A menagerie of clusters [J].
Doye, JPK ;
Wales, DJ .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1997, 93 (24) :4233-4243