Molecular integrals with Slater basis. II. Fast computational algorithms

1989 ◽  
Vol 91 (7) ◽  
pp. 4213-4222 ◽  
Author(s):  
J. Fernández Rico ◽  
R. López ◽  
G. Ramírez
Keyword(s):  
Computational Algorithms ◽  
Molecular Integrals ◽  
Slater Basis

Molecular integrals with Slater basis. I. General approach

1989 ◽  
Vol 91 (7) ◽  
pp. 4204-4212 ◽  
Author(s):  
J. Fernández Rico ◽  
R. López ◽  
G. Ramírez
Keyword(s):  
Molecular Integrals ◽  
Slater Basis

Molecular integrals with Slater basis. V. Recurrence algorithm for the exchange integrals

1994 ◽  
Vol 101 (11) ◽  
pp. 9807-9816 ◽  
Author(s):  
J. Fernández Rico ◽  
R. López ◽  
G. Ramírez ◽  
C. Tablero
Keyword(s):  
Recurrence Algorithm ◽  
Molecular Integrals ◽  
Slater Basis

Accurate gaussian expansion of STO's. Test of many-center slater integrals

1988 ◽  
Vol 53 (10) ◽  
pp. 2250-2265 ◽  
Author(s):  
Jaime Fernández Rico ◽  
Guillermo Ramírez ◽  
Rafael López ◽  
José I. Fernández-Alonso
Keyword(s):  
Basis Functions ◽  
Quantum Numbers ◽  
Molecular Integrals ◽  
Testing Algorithms ◽  
Slater Basis

The use of large STO-NG expansions for testing algorithms and procedures designed for the calculation of many-center molecular integrals with Slater basis functions was previously proposed. Expansions up to the STO-12G for the 1s and 2s cases and a method for calculating integrals involving higher quantum numbers were there reported. Here, we present the corresponding expansions from STO-13G to STO-27G. Further tests on the convergence in the integral calculations with the new expansions are also included and the results are compared with those obtained previously. These new expansions are necessary when highly accurate comparisons are required.

Large gaussian expansions of sto’s for the calculation of many-center molecular integrals with slater basis

1987 ◽  
Vol 84 ◽  
pp. 695-698 ◽  
Author(s):  
R. López ◽  
G. Ramirez ◽  
J.M. García de la Vega ◽  
J. Fernández Rico
Keyword(s):  
Molecular Integrals ◽  
Slater Basis

Molecular integrals with Slater basis. III. Three‐center nuclear attraction integrals

1991 ◽  
Vol 94 (7) ◽  
pp. 5032-5039 ◽  
Author(s):  
J. Fernández Rico ◽  
R. López ◽  
G. Ramírez
Keyword(s):  
Molecular Integrals ◽  
Nuclear Attraction ◽  
Slater Basis

О ТОЧНОСТИ ОПРЕДЕЛЕНИЯ КООРДИНАТ ПОДВОДНОГО МОДУЛЯ НА ОСНОВЕ ИЗМЕРЕННЫХ ПАРАМЕТРОВ ДВИЖЕНИЯ БУКСИРУЕМОЙ СИСТЕМЫ

2020 ◽  
Author(s):  
V.V. Kostenko ◽  
Yu.V. Vaulin ◽  
F.S. Dubrovin ◽  
O.Yu. Lvov
Keyword(s):  
Immersion Depth ◽  
Computational Algorithms ◽  
Navigation Systems ◽  
Short Baseline ◽  
Positioning Accuracy ◽  
Underwater Acoustic ◽  
Ground Speed ◽  
Cable Length ◽  
Acoustic Navigation

Буксируемый подводный модуль (БПМ) эффективно используется для решения задач, связанных с координированием подводных объектов, местоположение которых подлежит уточнению в процессе их детальногообследования. При этом большое значение имеет точность определения координат самого буксируемогомодуля относительно судна-буксировщика. Использование гидроакустических навигационных средств, вчастности систем с ультракороткой базой (ГАНС УКБ), ограничено вследствие помех, влияющих на качествосигналов в приемной антенне. Альтернативой служит метод определения координат БПМ на основе данныхтраекторных измерений параметров буксируемой системы. К числу последних относятся расчетные значенияпараметров кабеля связи в установившихся режимах буксировки, значения путевой скорости и путевого углабуксировщика, а также измеренные значения длины кабеля, глубины погружения и курса БПМ. В работе дансравнительный анализ различных вариантов вычислительных алгоритмов, позволяющих получить оценки точности определения координат БПМ в различных режимах стационарной буксировки и при наличии сбоев вработе навигационных средств.The towed underwater module (TUM) is a useful toolfor solving problems of the positioning of the underwaterobjects, the location of which must be clarified during its detailedinspection. Herewith, the accuracy of the determinationof the coordinates of the towed module itself relative tothe towing vessel is essential for such kind of problems. Theuse of underwater acoustic navigation means, the systemswith ultra-short baseline (USBL) in particular, are limiteddue to interference affecting the quality of the signals on thereceiving antenna. As an alternative, the method is proposedfor TUM positioning based on trajectory measurements ofparameters of the towed system, which may include calculatedvalues of communication cable parameters in steadystatetowing modes, values of ground speed and towing angle,as well as measured cable length, immersion depth, andTUM heading. The paper provides a comparative analysisof various versions of computational algorithms, which allowobtaining estimates of the TUM positioning accuracy indifferent modes of stationary towing and in the presence offailures in navigation systems operation.

Microstructures in Elastic Media

1994 ◽  
Author(s):  
Nhan Phan-Thien ◽  
Sangtae Kim
Keyword(s):  
Computational Methods ◽  
High Performance ◽  
Chemical Engineering ◽  
Elliptic Partial Differential Equations ◽  
Parallel Computers ◽  
Computational Algorithms ◽  
Applied Physics ◽  
Advanced Students ◽  
Particulate Solids ◽  
Modeling Software

This monograph describes various methods for solving deformation problems of particulate solids, taking the reader from analytical to computational methods. The book is the first to present the topic of linear elasticity in mathematical terms that will be familiar to anyone with a grounding in fluid mechanics. It incorporates the latest advances in computational algorithms for elliptic partial differential equations, and provides the groundwork for simulations on high performance parallel computers. Numerous exercises complement the theoretical discussions, and a related set of self-documented programs is available to readers with Internet access. The work will be of interest to advanced students and practicing researchers in mechanical engineering, chemical engineering, applied physics, computational methods, and developers of numerical modeling software.

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