scholarly journals Linear scaling computation of the Fock matrix. III. Formation of the exchange matrix with permutational symmetry

2000 ◽  
Vol 104 (5) ◽  
pp. 344-349 ◽  
Author(s):  
Eric Schwegler ◽  
Matt Challacombe
Keyword(s):  
Linear Scaling ◽  
Permutational Symmetry ◽  
Exchange Matrix

Linear scaling computation of the Hartree–Fock exchange matrix

1996 ◽  
Vol 105 (7) ◽  
pp. 2726-2734 ◽  
Author(s):  
Eric Schwegler ◽  
Matt Challacombe
Keyword(s):  
Linear Scaling ◽  
Hartree Fock ◽  
Exchange Matrix

Features of Synthesis of Anion Exchange Matrix “Polikon A” with Oxidated Ultrafine Additives on Lavsan Textile Bases

2020 ◽  
Vol 2 (5) ◽  
pp. 325-331
Author(s):  
I. D. Strilets ◽  
M. M. Kardash ◽  
D. V. Terin ◽  
T. V. Druzhinina ◽  
S. V. Tsyplyayev
Keyword(s):  
Anion Exchange ◽  
Exchange Matrix

scholarly journals Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications

2021 ◽  
Author(s):  
P. Bernát Szabó ◽  
József Csóka ◽  
Mihály Kállay ◽  
Péter R. Nagy
Keyword(s):  
Large Scale ◽  
Open Shell ◽  
Linear Scaling

scholarly journals Nopalea cochenillifera Biomass as Bioadsorbent in Water Purification

Water ◽  
2021 ◽  
Vol 13 (15) ◽  
pp. 2012
Author(s):  
Vitória Régia do Nascimento Lima ◽  
Álvaro Gustavo Ferreira da Silva ◽  
Renata Ranielly Pedroza Cruz ◽  
Luana da Silva Barbosa ◽  
Neilier Rodrigues da Silva Junior ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Water Purification ◽  
Reducing Sugars ◽  
Northeastern Brazil ◽  
Human Consumption ◽  
Contaminated Water ◽  
Water Safety ◽  
Total Coliforms ◽  
Exchange Matrix ◽  
Nopalea Cochenillifera

Contaminated water consumption is one of the greatest risks to human health, especially in underdeveloped and developing countries. Water is a universal right, but millions of people worldwide consume untreated surface water. The objective in this study is to evaluate water purification with Nopalea cochenillifera var. Miúda biomass. Fragments (1, 2, and 3 g) of N. cochenillifera were added to the aqueous solution containing red-yellow Chromic and Podzolic Luvisol simulating turbid water sources in Northeastern Brazil. The total, non-structural (i.e., reducing and non-reducing sugars, alcohol insoluble solids), and structural (i.e., pectin) carbohydrates, adsorption kinetics, turbidity, electrical conductivity, pH, zeta potential, and total coliforms presence were evaluated. Findings show that the Nopalea cochenillifera biomass adsorbed the suspended particles in the aqueous solution, making it more translucent due to the complex and heterogeneous adsorbents’ ion exchange matrix, but the biomass addition did not eliminate total coliforms from the aqueous solution. We concluded that the Nopalea cochenillifera biomass water treatment reduces suspended dissolved particles and turbidity, but it needs to be associated with other treatments to eliminate total coliforms and ensure water safety for human consumption.

scholarly journals Linear scaling calculation of maximally localized Wannier functions with atomic basis set

2006 ◽  
Vol 124 (23) ◽  
pp. 234108 ◽  
Author(s):  
H. J. Xiang ◽  
Zhenyu Li ◽  
W. Z. Liang ◽  
Jinlong Yang ◽  
J. G. Hou ◽  
...  
Keyword(s):  
Basis Set ◽  
Linear Scaling ◽  
Wannier Functions
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