Ordinal explanation of the periodic system of chemical elements

被引:5
作者
Scerri, ER [1 ]
Kreinovich, V
Wojciechowski, P
Yager, RR
机构
[1] Bradley Univ, Dept Chem, Peoria, IL 61625 USA
[2] Univ Texas, Dept Comp Sci, El Paso, TX 79968 USA
[3] Univ Texas, Dept Math Sci, El Paso, TX 79968 USA
[4] Iona Coll, New Rochelle, NY 10801 USA
关键词
periodic table; chemistry; ordinal information : invariance;
D O I
10.1142/S0218488598000318
中图分类号
TP18 [人工智能理论];
学科分类号
081104 ; 0812 ; 0835 ; 1405 ;
摘要
Textbooks often claim that quantum mechanics explained the periodic system: namely, the actual configuration of electronic orbits that is responsible for the element's chemical properties can be described as the one that minimizes the total energy, and the energy of each configuration can be computed by using quantum mechanics. However, a careful analysis of this explanation reveals that, in addition to the basic equations of quantum mechanics, we need some heuristic rules that do not directly follow from quantum physics. One reason why additional heuristics are necessary is that the corresponding numerical equations are extremely difficult to solve, and as we move to atoms with larger and larger atomic numbers Z, they become even more difficult. Moreover, as Z grows, we must take relativistic effects into consideration, and this means going from partial differential equations to even more mathematically difficult operator equations. In this paper, we show that if instead of the (often impossible) numerical optimization, we consider the (available) ordinal information, we can then explain the observed periodic system.
引用
收藏
页码:387 / 399
页数:13
相关论文
共 47 条
[21]  
KLECHKOVSKII VM, 1962, SOV PHYS JETP-USSR, V14, P334
[22]  
KLECHKOVSKII VM, 1968, DISTRIBUTION ATOMIC
[23]  
Konopel'chenko V. G., 1979, Soviet Physics - Uspekhi, V22, P837, DOI 10.1070/PU1979v022n10ABEH005712
[24]  
Landau L.D., 1977, QUANTUM MECH NONRELA
[25]   ATOMIC ENERGY LEVELS FOR THE THOMAS-FERMI AND THOMAS-FERMI-DIRAC POTENTIAL [J].
LATTER, R .
PHYSICAL REVIEW, 1955, 99 (02) :510-519
[26]  
Madelung E., 1936, MATH HILFSMITTEL PHY, Vthird, P359
[27]   Why the 4s orbital is occupied before the 3d [J].
Melrose, MP ;
Scerri, ER .
JOURNAL OF CHEMICAL EDUCATION, 1996, 73 (06) :498-503
[28]  
Negadi T, 1996, INT J QUANTUM CHEM, V57, P53, DOI 10.1002/(SICI)1097-461X(1996)57:1<53::AID-QUA6>3.0.CO
[29]  
2-Y
[30]  
NOVARO O, 1973, INT J QUANTUM CHEM, P53