標(biāo)題: Titlebook: Mathematical Models and Methods for Ab Initio Quantum Chemistry; Mireille Defranceschi,Claude Bris Book 2000 Springer-Verlag Berlin Heidel [打印本頁(yè)] 作者: 調(diào)戲 時(shí)間: 2025-3-21 16:57
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry影響因子(影響力)
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry影響因子(影響力)學(xué)科排名
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry網(wǎng)絡(luò)公開度
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry被引頻次
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry被引頻次學(xué)科排名
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry年度引用
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry年度引用學(xué)科排名
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry讀者反饋
書目名稱Mathematical Models and Methods for Ab Initio Quantum Chemistry讀者反饋學(xué)科排名
作者: 欺騙世家 時(shí)間: 2025-3-21 23:51
978-3-540-67631-7Springer-Verlag Berlin Heidelberg 2000作者: 公式 時(shí)間: 2025-3-22 02:50
Mathematical Models and Methods for Ab Initio Quantum Chemistry978-3-642-57237-1Series ISSN 0342-4901 Series E-ISSN 2192-6603 作者: ROOF 時(shí)間: 2025-3-22 05:37 作者: delusion 時(shí)間: 2025-3-22 09:18
A mathematical insight into , simulations of the solid phaseWe give here an introduction to the language of . solid-state theory. Starting from the intrinseque symmetries of a perfect crystal, we show how it is related to band structure theory and give a brief overview of the techniques in use to simulate such systems.作者: Gentry 時(shí)間: 2025-3-22 14:17 作者: 占線 時(shí)間: 2025-3-22 20:30
Recent mathematical results on the quantum modeling of crystalsels for the ground-state energy of solid crystals. These models are the analogues for the solid state of well-known models issued from Quantum Chemistry, namely Thomas-Fermi, Hartree and Hartree-Fock type models. We shall present a broad overview on recent mathematical studies on this topic.作者: 衰弱的心 時(shí)間: 2025-3-22 23:06 作者: impale 時(shí)間: 2025-3-23 05:23 作者: 全面 時(shí)間: 2025-3-23 06:24
Variational methods in relativistic quantum mechanics: new approach to the computation of Dirac eige that we introduce is done in a particular set offunctions satisfying a nonlinear constraint. Finally, we present several numerical methods that we have implemented in particular cases, in order to construct approximate solutions of that minimization problem.作者: Disk199 時(shí)間: 2025-3-23 11:49
Examples of hidden numerical tricks in a solid state determination of electronic structure. of pseudo-potentials or the selection of k-points are examined in details as well as the subsequent numerical tricks occuring in the calculations, e.g. in geometry optimizations. Finally, results regarding an apatitic mineral are reported and orders of magnitudE‘ of the expected accuracy are provided.作者: deforestation 時(shí)間: 2025-3-23 15:54 作者: Contracture 時(shí)間: 2025-3-23 18:48
Quaternion symmetry of the Dirac equationThese considerations lead to the formulation of a symmetry scheme that automatically provides maximum point group and time reversal symmetry reduction in the solution of the Dirac equation in the finite basis approximation.作者: NUL 時(shí)間: 2025-3-23 23:10 作者: 失望未來(lái) 時(shí)間: 2025-3-24 06:09
Quantum mechanical models for systems in solutiontions such as the search for the best geometry and the evaluation of molecular response properties in solution. In this context some comments on the eventual inclusion of dynamical aspects are also reported.作者: Cantankerous 時(shí)間: 2025-3-24 08:09
Book 2000oted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communities, namely mathematicians, experts at numerical analysis and computer science, chemists, just to see whether this heterogeneous set of lecturers can prod作者: 陶器 時(shí)間: 2025-3-24 12:17 作者: 木訥 時(shí)間: 2025-3-24 16:43
Mathematical Models and Methods for Ab Initio Quantum Chemistry作者: ingrate 時(shí)間: 2025-3-24 21:14
A pedagogical introduction to Quantum Monte-Carlovery recently introduced optimal version of SRMC is also discussed. Finally, two methods for accelerating QMC calculations are sketched: (a) the use of integrated Poisson processes to speed up the dynamics (b) the introduction of “renormalized” or “improved” estimators to decrease the statistical fl作者: MORPH 時(shí)間: 2025-3-25 02:42 作者: 凹槽 時(shí)間: 2025-3-25 05:31
alysis of Article 10 of the European Convention on Human Rights could be approached in different ways. It is important to realise that the objective of the analysis of Article 10 in this chapter is to underpin the assumption of this book and not to serve as a legal positivist analysis.作者: podiatrist 時(shí)間: 2025-3-25 10:18
isciplines, such as legal and public policy, political science, media and communications studies, journalism and European studies. Additionally it contains valuable information and points of view for policy makers, lawyers and international and intergovernmental organisations, active in media develo作者: MULTI 時(shí)間: 2025-3-25 14:19 作者: goodwill 時(shí)間: 2025-3-25 17:27 作者: 西瓜 時(shí)間: 2025-3-25 21:19
Michel Caffarel,Roland Assarafemium sports as well as movies channels, the following sections will only focus on the concerns expressed for the distribution of sports channels and sports broadcasting rights. Although different types of must-offer obligations could be imposed, for example obligations to grant access to infrastruc作者: HAIL 時(shí)間: 2025-3-26 02:41 作者: FEIGN 時(shí)間: 2025-3-26 05:48 作者: Eeg332 時(shí)間: 2025-3-26 12:14
I. Catto,P.-L. Lions,C. Le Briser exists only “from the moment when the impossible really begins,” hostile to the “l(fā)ife of societies” this “impossible melée … incites a kind of virtual revolt (which moreover can only have its full effect only if it remains virtual), and imposes on the assembled collectivity an attitude that is bo作者: 征稅 時(shí)間: 2025-3-26 14:15
Mireille Defranceschi,Vanina Louis-Achillehip between self-control and psychological well-being. It was also found that participants with higher levels of self-control had higher levels of psychological well-being as compared to those with lower levels of self-control. Implication of the findings was discussed.作者: investigate 時(shí)間: 2025-3-26 20:29 作者: 人充滿活力 時(shí)間: 2025-3-26 23:37 作者: cacophony 時(shí)間: 2025-3-27 04:38 作者: Outmoded 時(shí)間: 2025-3-27 07:29
T. Saue,H. J. Aa. Jensendes multiple functions that facilitate playfulness, students from Shenzhen reported difficulties in using LMS for learning. Besides, voluntariness of LMS use may play an important role in influencing the effect of subjective norm on intention to use LMS. While HK students who use LMS under voluntary作者: hypnotic 時(shí)間: 2025-3-27 09:40
who find themselves enduring similar challenges. In the areas that are now considered part of the field of autobiography, which has expanded radically with the emergence of new digital media, black American women have excelled at expanding the genre’s boundaries as they address disparaging depiction作者: 課程 時(shí)間: 2025-3-27 15:42
ntion on Human Rights, as an important foundation for the development of a democratic society and each individual. The European Court for Human Rights applies a broad definition of the notion “information,” particularly everything that can play an important role in the development of a democratic so作者: 小溪 時(shí)間: 2025-3-27 19:49
f their choice, on the platform they prefer and at the time they want. Furthermore, thanks to electronic devices and Internet, content can now be created and distributed by every sports fan. As a result, it is argued that media regulation which traditionally contains rules safeguarding access to inf作者: 虛弱的神經(jīng) 時(shí)間: 2025-3-27 23:13
Brian Sutcliffention on Human Rights, as an important foundation for the development of a democratic society and each individual. The European Court for Human Rights applies a broad definition of the notion “information,” particularly everything that can play an important role in the development of a democratic so作者: MUTED 時(shí)間: 2025-3-28 05:41
Eric Cancèstition in the pay-television market. The question whether the changing media landscape has had an impact on the way competition authorities have dealt with the public’s access to sports events when imposing a must-offer obligation will be answered by means of the following decisions: the . case and 作者: –DOX 時(shí)間: 2025-3-28 09:48
Michel Caffarel,Roland Assaraftition in the pay-television market. The question whether the changing media landscape has had an impact on the way competition authorities have dealt with the public’s access to sports events when imposing a must-offer obligation will be answered by means of the following decisions: the . case and 作者: Pigeon 時(shí)間: 2025-3-28 11:14
Gabriel Turiniciwithout Frontiers Directive. Due to technological changes, the media landscape has changed fundamentally. Everybody can now consume the content of his choice, on the platform he prefers and at the time he wants. Furthermore, thanks to electronic devices and Internet, audiovisual content can now be c作者: 怎樣才咆哮 時(shí)間: 2025-3-28 15:29 作者: 不斷的變動(dòng) 時(shí)間: 2025-3-28 21:02
I. Catto,P.-L. Lions,C. Le Brisor disasters he had caused, and which he hadn’t. This fascination was such that he began his collection . with his essay “The Theater and the Plague” (1934), obsessed with how theater could and must convey “the force of an epidemic.” Filled with gory details of the 1720 plague in Marseilles, Artaud 作者: Postmenopause 時(shí)間: 2025-3-29 02:29 作者: Resistance 時(shí)間: 2025-3-29 03:07 作者: fluffy 時(shí)間: 2025-3-29 10:43
different types of online game playing, violent online game has grown to be a prevailing entertainment around the globe. This study aims to examine the relationship between Hong Kong young adults’ involvement in online violent game and psychological well-being, the relationship between self-control 作者: DOSE 時(shí)間: 2025-3-29 13:49 作者: fatuity 時(shí)間: 2025-3-29 18:53 作者: 護(hù)身符 時(shí)間: 2025-3-29 19:49
ations respond to mainstream assumptions, pointing out the oddity of beliefs and expectations that are too often considered natural or common sense. Black women continually and routinely work to define themselves publicly in ways that benefit black women while innovating in both autobiographical exp作者: Serenity 時(shí)間: 2025-3-30 01:11
SCF algorithms for HF electronic calculations two classical SCF procedures, namely the Roothaan algorithm and the level-shifting algorithm. It is demonstrated that the Roothaan algorithm either converges towards a solution to the Hartree-Fock equations or oscillates between two states which are not solution to the Hartree-Fock equations, any o作者: Instinctive 時(shí)間: 2025-3-30 05:53
