Accuracy improvement using a modified Gauss-quadrature for integral methods in electromagnetics

1992 ◽  
Vol 28 (2) ◽  
pp. 1755-1758 ◽  
Author(s):  
E. Schlemmer ◽  
J. Steffan ◽  
W.M. Rucker ◽  
K.R. Richter
2020 ◽  
Vol 140 (11) ◽  
pp. 1264-1269
Author(s):  
Tatsuya Ohba ◽  
Daisuke Mizushima ◽  
Keishiro Goshima ◽  
Norio Tsuda ◽  
Jun Yamada

2014 ◽  
Vol 134 (1) ◽  
pp. 9-15 ◽  
Author(s):  
Hisatomo Miyata ◽  
Kazutoshi Miyashita ◽  
Takayuki Endo ◽  
Yuichi Shimasaki ◽  
Tatsuya Iizaka ◽  
...  

1946 ◽  
Author(s):  
MASSACHUSETTS INST OF TECH CAMBRIDGE

Author(s):  
Michael P. Allen ◽  
Dominic J. Tildesley

This chapter covers the introduction of quantum mechanics into computer simulation methods. The chapter begins by explaining how electronic degrees of freedom may be handled in an ab initio fashion and how the resulting forces are included in the classical dynamics of the nuclei. The technique for combining the ab initio molecular dynamics of a small region, with classical dynamics or molecular mechanics applied to the surrounding environment, is explained. There is a section on handling quantum degrees of freedom, such as low-mass nuclei, by discretized path integral methods, complete with practical code examples. The problem of calculating quantum time correlation functions is addressed. Ground-state quantum Monte Carlo methods are explained, and the chapter concludes with a forward look to the future development of such techniques particularly to systems that include excited electronic states.


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