標(biāo)題: Titlebook: Methods in Computational Molecular Physics; G. H. F. Diercksen,S. Wilson Book 1983 D. Reidel Publishing Company, Dordrecht, Holland 1983 m [打印本頁] 作者: Eschew 時間: 2025-3-21 19:48
書目名稱Methods in Computational Molecular Physics影響因子(影響力)
書目名稱Methods in Computational Molecular Physics影響因子(影響力)學(xué)科排名
書目名稱Methods in Computational Molecular Physics網(wǎng)絡(luò)公開度
書目名稱Methods in Computational Molecular Physics網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Methods in Computational Molecular Physics被引頻次
書目名稱Methods in Computational Molecular Physics被引頻次學(xué)科排名
書目名稱Methods in Computational Molecular Physics年度引用
書目名稱Methods in Computational Molecular Physics年度引用學(xué)科排名
書目名稱Methods in Computational Molecular Physics讀者反饋
書目名稱Methods in Computational Molecular Physics讀者反饋學(xué)科排名
作者: obsession 時間: 2025-3-22 00:07 作者: 柔聲地說 時間: 2025-3-22 01:40
Matrix Eigenvector Methods,es. Efficiency must be judged, however, in terms of the ability to solve a variety of eigenvalue problems on computers of widely different architecture, memory size, and data transfer rates. To further confuse the situation, cost rather than system throughput, is usually of paramount concern. Additi作者: 僵硬 時間: 2025-3-22 08:25
The Multiconfigurational (MC) SCF Method,main emphasis will be put on the recent development of quadratically or near-quadratically convergent procedures such as the Newton-Raphson and the super-CI methods. The equations for a general second order Newton-Raphson procedure will be derived in a form suitable for large scale applications. Dif作者: Adornment 時間: 2025-3-22 12:43
The Direct CI Method,described. The strategy involves the initial construction of a formula tape for the internal space with a subsequent direct CI treatment of the external space, where the internal formulas are processed parallel to the molecular integrals. The recent development of this method is reviewed including a作者: Chameleon 時間: 2025-3-22 16:23 作者: 救護(hù)車 時間: 2025-3-22 20:36
,On a Green’s Function Method for the Calculation of Ionization Spectra in the Outer and Inner Valengies and relative intensities of the lines. The vibrational structure as well as vibronic coupling phenomena can also be obtained from the Green’s function. It turns out that the structure of the ionization spectrum is very different in general in the outer and inner valence region. In the inner val作者: BURSA 時間: 2025-3-22 23:58 作者: 觀察 時間: 2025-3-23 03:40 作者: 不近人情 時間: 2025-3-23 07:32
,Schr?dinger Spectra,ained in this way employing appropriate one-electron basis sets and corresponding many-electron configurational state functions generally furnish useful approximations to the ground and low-lying bound excited states of the atom or molecule of interest [3,4]. Closely related computational methods ar作者: cataract 時間: 2025-3-23 10:57
Computers and Computation in Molecular Physics, has increased the number of problems accessible to investigation considerably and experience with these systems is now available. The 5th generation of computers being discussed at present and expected to be available in the early nineties will certainly have an impact on physics hardly predictable作者: 自然環(huán)境 時間: 2025-3-23 13:55 作者: 針葉樹 時間: 2025-3-23 20:04 作者: 正式演說 時間: 2025-3-23 22:48
E. Otto Steinborne. g. tight junction) of blood brain barrier (BBB) using cold atmospheric plasma (CAP). The CAP produces reactive oxygen and nitrogen species (RONS) that include hydroxyl (HO.), superoxide (O.), peroxyl (ROO.), nitric oxide (NO.), ozone (O.), hydrogen peroxide (H.O.), and singlet oxygen (.O.). In th作者: vertebrate 時間: 2025-3-24 05:14 作者: 我要沮喪 時間: 2025-3-24 08:46
Ernest R. Davidsonented. The bonded interface of each sample is composed of numerous laser weld seams at their periphery in a closed shape pattern so as to seal the inner part due to optical contact of two species. The angular dependencies of ellipsometric parameters Δ and Ψ were obtained for the several areas of bon作者: BRAVE 時間: 2025-3-24 14:21 作者: FAST 時間: 2025-3-24 16:45
Bj?rn O. Roosu Ioan Cuza University of Ia?i, Romania from 25 to 28 September 2017. It is the third volume in the series, following the editions from 2015 and 2016.?.Fundamental and applied research in natural sciences have led to crucial developments in the ongoing 4th global industrial revolution, in the course作者: assent 時間: 2025-3-24 22:27
Per E. M. Siegbahniversity of Technology of Kaunas, Lithuania on September 24–.This book presents the proceedings of the 17th International Conference on Global Research and Education, Inter-Academia 2018 held in Kaunas, Lithuania on 24–27 September 2018. The main goal of the conference was to provide an internationa作者: 常到 時間: 2025-3-24 23:34
R. Ahlrichssafe operation. The deuterium (D) removal efficiency in tungsten (W) by energetic hydrogen (H) ions under room temperature and baking under 623?K were studied by thermal desorption spectroscopy (TDS). Iron (Fe) damaged W with various damage level by 6?MeV Fe. was adopted to simulate neutron irradiat作者: travail 時間: 2025-3-25 04:12
W. von Niessen,J. Schirmer,L. S. Cederbaum and nitrates NO.. The water thus treated is called plasma activated water and have applications in medicine and agriculture. In the present work, surface DBD micro plasma working in air at atmospheric pressure is used to treat a small amount of deionized water. The surface DBD plasma was generated 作者: Talkative 時間: 2025-3-25 08:20 作者: 賞錢 時間: 2025-3-25 12:30
S. Wilsonatabases, i. e., databases that incorporate both transaction and valid time dimensions. In this paper we first discuss the issues involved in addressing general bitemporal queries and then propose two general approaches in solving such queries. For simplicity we present our findings in relation to t作者: 小隔間 時間: 2025-3-25 17:07 作者: 統(tǒng)治人類 時間: 2025-3-25 21:54
G. H. F. Diercksen,N. E. Grüner,J. Steuerwaldstrial institutions with database practitioners interested in keeping up with the state-of-the-art developments in the management of temporal data. A previous workshop in Arlington, Texas in June 1993 focused on the development of an infrastructure that would spur the development of commercial imple作者: 尋找 時間: 2025-3-26 01:00 作者: 警告 時間: 2025-3-26 06:54 作者: 淡紫色花 時間: 2025-3-26 10:18 作者: 空中 時間: 2025-3-26 15:22 作者: remission 時間: 2025-3-26 19:35 作者: 聽覺 時間: 2025-3-27 00:21
Computers and Computation in Molecular Physics, has increased the number of problems accessible to investigation considerably and experience with these systems is now available. The 5th generation of computers being discussed at present and expected to be available in the early nineties will certainly have an impact on physics hardly predictable.作者: ERUPT 時間: 2025-3-27 02:31
Molecular Integrals for Gaussian Type Functions,The Gaussian type function (GTF) was introduced into quantum chemistry by Boys [1], who showed that the molecular integrals involving GTFs take a reasonably simple form. The field has been reviewed by Shavitt [2], and the present author [3], the latter in 1975, and it is our present purpose to summarize the considerable progress made since 1975.作者: Jargon 時間: 2025-3-27 09:11 作者: clarify 時間: 2025-3-27 11:36
978-94-009-7202-5D. Reidel Publishing Company, Dordrecht, Holland 1983作者: Evolve 時間: 2025-3-27 16:08 作者: heart-murmur 時間: 2025-3-27 20:04 作者: miracle 時間: 2025-3-28 01:09
1389-2185 s. Recent years have seen considerable progress in computer technology and computer science and these developments have had a very significant influence on computational molecular physics. Progress in computer technology has led to increasingly larger and faster systems as well as powerful minicompu作者: 偏見 時間: 2025-3-28 03:33
The Multiconfigurational (MC) SCF Method,per-CI methods. The equations for a general second order Newton-Raphson procedure will be derived in a form suitable for large scale applications. Different approximations to the general procedure will be discussed, such as the augmented Hessian and the super-CI methods.作者: 檢查 時間: 2025-3-28 08:43 作者: 滑動 時間: 2025-3-28 14:27
Book 1983years have seen considerable progress in computer technology and computer science and these developments have had a very significant influence on computational molecular physics. Progress in computer technology has led to increasingly larger and faster systems as well as powerful minicomputers. Simu作者: Communicate 時間: 2025-3-28 16:26
,On a Green’s Function Method for the Calculation of Ionization Spectra in the Outer and Inner Valen structure of the spectra - such a method is the two-particle-hole Tamm-Dancoff Green’s function approximation (2ph-TDA), whereas in the outer valence region high accuracy is required. This is supplied by an extended 2ph-TDA method (e-2ph-TDA) or a method especially adapted to this energy range, the outer valence Green’s function or OVGF method.作者: malign 時間: 2025-3-28 18:57
Diagrammatic Many-Body Perturbation Theory,ation theory are both accurate and efficient. The importance of Wigner’s (2n+1) rule is noted. The impact of parallel processing computers on pertur- bative calculations is assessed. An outline of some current research on the application of diagrammatic perturbation theory to the correlation problem in atoms and molecules is presented.作者: pacific 時間: 2025-3-28 22:57 作者: 整潔 時間: 2025-3-29 05:09
The Direct CI Method,me approximate methods are also described. These methods include the internally and externally contracted CI methods. The externally contracted CI method is shown to correspond to the work of one half of an ordinary CI iteration in the large basis set limit where the overhead is negligible.作者: Functional 時間: 2025-3-29 11:14 作者: 褪色 時間: 2025-3-29 12:20
Book 1983ave been reformulated to make more efficient use of the new computer technology and algorithms which were previously computationally intractable have now been successfully implemented. This research has given a new and exciting insight into molecular structure and molecular processes by enabling sma作者: AER 時間: 2025-3-29 18:14 作者: 壓迫 時間: 2025-3-29 23:24
in participation. The Call for Papers sought to evoke the highest quality and most up-to-date temporal database research from around the world. Mindful of the 978-3-540-19945-8978-1-4471-3033-8Series ISSN 1431-1682 作者: 諷刺 時間: 2025-3-30 02:39
activity of the samples in relation to their melatonin content and the presence of phenolic compounds were analyzed. In general, the highest concentrations of melatonin were obtained in table grapes and cherries - Amar de Maxut. Among the analyzed species, table grapes presented the highest antioxid作者: Multiple 時間: 2025-3-30 05:27 作者: 字的誤用 時間: 2025-3-30 11:34
E. Otto Steinbornage: 2.2 k Pp., frequency: 10?kHz). After 1 h incubation at 37?oC with 5% CO., trans-endothelial electrical resistance (TEER) was measured. The TEER value was reduced in plasma-treated cells compared to non-treated cells. It indicates that this plasma condition produced reactive species (RONS) that 作者: Feckless 時間: 2025-3-30 15:10 作者: CALL 時間: 2025-3-30 16:45
Ernest R. Davidsonow for this sample by 0.2°. Such behavior of ellipsometric parameter Δ may be explained by the material modification inside glass due to femtosecond laser irradiation. This change is typically characterized by densification and caused by variation in the refractive index, and it may be also characte
