Convergence of multipole expanded intermolecular interaction energies for Gaussian-type-function and Slater-type-function basis sets

2000 ◽  
Vol 104 (6) ◽  
pp. 499-506 ◽  
Author(s):  
Georg Jansen
Keyword(s):  
Intermolecular Interaction ◽  
Basis Sets ◽  
Interaction Energies ◽  
Slater Type ◽  
Type Function ◽  
Gaussian Type ◽  
Slater Type Function ◽  
Gaussian Type Function

Quality of contracted Gaussian-type function basis sets

2004 ◽  
Vol 120 (13) ◽  
pp. 5938-5945 ◽  
Author(s):  
Hiroshi Tatewaki ◽  
Toshikatsu Koga ◽  
Tsuyoshi Shimazaki ◽  
Shigeyoshi Yamamoto
Keyword(s):  
Basis Sets ◽  
Type Function ◽  
Gaussian Type ◽  
Gaussian Type Function

On the systematic optimization of new basis sets of Gaussian-type functions for calculations on ozone

2005 ◽  
Vol 1 (2) ◽  
pp. 53-57 ◽  
Author(s):  
Constantine Makris ◽  
George Maroulis
Keyword(s):  
Intermolecular Interaction ◽  
Computational Approach ◽  
Electric Property ◽  
Basis Sets ◽  
Ozone Molecule ◽  
Gaussian Type ◽  
Interaction Studies ◽  
Systematic Optimization

We report the design of new Gaussian-type basis sets for ozone. Our computational approach to the optimization of new basis sets takes into account the non-equivalence of the atomic centers of the molecule. We have employed substrates of various sizes. We show that the choice of d-GTF exponents is a non-trivial matter. The designed basis sets should be useful in electric property and intermolecular interaction studies involving the ozone molecule.

Gaussian-type function set without prolapse for the Dirac-Fock-Roothaan equation

2003 ◽  
Vol 24 (15) ◽  
pp. 1823-1828 ◽  
Author(s):  
Hiroshi Tatewaki ◽  
Yoshihiro Watanabe
Keyword(s):  
Type Function ◽  
Gaussian Type ◽  
Gaussian Type Function

Velocity Distribution of Secondary π Mesons Produced in Interactions of 70 GeV/c Protons with the Nuclei (CNO) and (Ag, Br)

1975 ◽  
Vol 53 (9) ◽  
pp. 935-936
Author(s):  
B. K. Bandyopadhyay ◽  
I. K. Daftari
Keyword(s):  
Experimental Data ◽  
Velocity Distribution ◽  
Center Of Mass ◽  
Type Function ◽  
Gaussian Type ◽  
Nuclear Interactions ◽  
Mass Frame ◽  
Usual Criterion ◽  
Gaussian Type Function

One hundred nuclear interactions produced by 70 GeV/c protons with photoemulsion nuclei have been analyzed. The velocity distribution of the secondary π mesons produced in these interactions was studied. A Gaussian type function is observed to simulate the experimental data which confirms the usual criterion of isotropy in the center of mass frame.

Gaussian-type function set without prolapse for the Dirac-Fock-Roothaan equation (II): Hg80 through Lr103

2006 ◽  
Vol 125 (5) ◽  
pp. 054106 ◽  
Author(s):  
Shigeyoshi Yamamoto ◽  
Hiroshi Tatewaki ◽  
Yoshihiro Watanabe
Keyword(s):  
Type Function ◽  
Gaussian Type ◽  
Gaussian Type Function

CMOS IMPLEMENTATION OF A VOLTAGE-MODE FUZZY MIN-MAX CONTROLLER

1996 ◽  
Vol 06 (02) ◽  
pp. 171-184 ◽  
Author(s):  
Y. OTA ◽  
B.M. WILAMOWSKI
Keyword(s):  
Membership Function ◽  
Closed Loop ◽  
General Purpose ◽  
Closed Loop Control ◽  
Type Function ◽  
Loop Control ◽  
Gaussian Type ◽  
Control Scheme ◽  
Cmos Implementation ◽  
Gaussian Type Function

In this paper, a general-purpose fuzzy min-max network using a Gaussian-type membership function fuzzifier is proposed. Particularly, CMOS implementations of the Gaussian-type membership function fuzzifier circuits, min-max operators, and the defuzzifier circuit are analyzed. Programmability of the proposed Gaussian-type function fuzzifier can be achieved by changing the gate voltages and the sizes of transistors in the differential pairs. A closed-loop control scheme is used between the fuzzifier and defuzzifier blocks to compensate the global normalization of the denominator in the division of a centroid calculation in the defuzzifier block.

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