標(biāo)題: Titlebook: Relativistic and Electron Correlation Effects in Molecules and Solids; G. L. Malli Book 1994 Springer Science+Business Media New York 1994 [打印本頁] 作者: 導(dǎo)彈 時(shí)間: 2025-3-21 16:19
書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids影響因子(影響力)
書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids影響因子(影響力)學(xué)科排名
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書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids被引頻次
書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids被引頻次學(xué)科排名
書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids年度引用
書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids年度引用學(xué)科排名
書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids讀者反饋
書目名稱Relativistic and Electron Correlation Effects in Molecules and Solids讀者反饋學(xué)科排名
作者: hankering 時(shí)間: 2025-3-21 20:56 作者: 無動(dòng)于衷 時(shí)間: 2025-3-22 03:01 作者: Negotiate 時(shí)間: 2025-3-22 05:21
Relativistic and Electron Correlation Effects in Molecules of Heavy Elements,m Dirac-Fock-Coulomb (DFC) and Dirac-Fock-Breit (DFB) calculations for heavy atoms (assuming finite nucleus) using spherical Gaussian basis sets, which were introduced more than a decade ago. in relativistic quantum chemistry.作者: CLOUT 時(shí)間: 2025-3-22 12:21 作者: 小木槌 時(shí)間: 2025-3-22 13:17 作者: 教育學(xué) 時(shí)間: 2025-3-22 17:34 作者: ELUC 時(shí)間: 2025-3-23 00:06 作者: affinity 時(shí)間: 2025-3-23 02:46 作者: Barter 時(shí)間: 2025-3-23 08:34 作者: beta-cells 時(shí)間: 2025-3-23 10:55 作者: 小教堂 時(shí)間: 2025-3-23 15:11
Electronic Structure of Molecules, Clusters and Surfaces Using , Relativistic Effective Core and Co. All procedures based on linear combinations of atomic orbitals to form molecular orbitals (LCAO-MO) in the context of Hartree-Fock (HF) and subsequent post-HF procedures such as configuration interaction (CI), many-body perturbation theory (MBPT) and its varients, must face such an assement.. This作者: Armory 時(shí)間: 2025-3-23 21:08
Configuration Interaction Wave Functions,ingle Slater determinant and forms a useful starting point for developing an accurate wave function. An improved wave function and energy can be obtained by expanding in a series of Slater determinants. Such an expansion is referred to as a configuration interaction (CI) wave function (Shavitt, 1977作者: LAPSE 時(shí)間: 2025-3-23 23:16 作者: AMBI 時(shí)間: 2025-3-24 05:20
Electron Correlation in Molecules Using Direct Second Order MCSCF,riginates from the mean-field approximation, where each electron moves in the mean field of the remaining N-1 electrons. This is the Hartree-Fock (HF) or self-consistent field (SCF) model. However, the MO picture (or the HF model) breaks down in many circumstances, and it is necessary to go beyond. 作者: 配偶 時(shí)間: 2025-3-24 07:53
Algebraic Approach to Coupled Cluster Theory,ularly when exploring systems undergoing chemical reactions or other dissociative or associative processes, more and more emphasis is being placed on a proper size-extensive (or size-consistent) behavior of the theories employed. The requirement of size-extensivity (i.e., an exact additivity of the 作者: Pelago 時(shí)間: 2025-3-24 10:46
Correlated and Non-Correlated Wave Functions for Organometallics,tructure and properties of the ground state, the importance of correlation depends i) on the type of bonding in the molecule under scrutiny, and ii) on the level of accuracy requested for the calculation, that is, on the sensitivity of the investigated property. This sensitivity may be highly interr作者: Mangle 時(shí)間: 2025-3-24 18:15 作者: hemorrhage 時(shí)間: 2025-3-24 22:23
Multiconfigurational Perturbation Theory,iption of both the equilibrium and partially or fully dissociated limits of a chemical system. Useful theoretical methods must address these problems by providing chemically accurate potential surfaces at a reasonable computational cost. The general theme of the work presented here is the developmen作者: abysmal 時(shí)間: 2025-3-25 02:12 作者: 閑聊 時(shí)間: 2025-3-25 05:19
An Introduction to GUGA in the Columbus Program System,ence single- and double-excitation configuration interaction (MRSDCI) wave function optimization based on the graphical unitary group approach (GUGA). A general discussion of the COLUMBUS Program System, along with numerous references for further details, may be found in Ref. 1. The purpose of this 作者: 分發(fā) 時(shí)間: 2025-3-25 07:45
The Unitary Group Approach in Context,echniques used to determine the operators and wavefunctions of many-electron systems. The work is intended for researchers who should find it useful for purposes of practical implementation of the unitary group approach.作者: 暫時(shí)休息 時(shí)間: 2025-3-25 13:43
Book 1994rsity (SFU) and the Natural Sciences and Engineering Research Council of Canada (NSERC) was held Aug 10- 21, 1992 at the University of British Columbia (UBC), Vancouver, Canada. A total of 90 lecturers and students with backgrounds in Chemistry, Physics, Mathematics and various interdisciplinary sub作者: 拔出 時(shí)間: 2025-3-25 16:14
Polyatomic Molecular Dirac-Hartree-Fock Calculations with Gaussian Basis Sets: Theory, Implementatisonen .. for linear molecules to the more recent polyatomic code of the author. and of Saue. and the linear code of Matsuoka., as well as the numerically-based code of Pyper .... Some methods for electron correlation have already been developed..作者: 逃避責(zé)任 時(shí)間: 2025-3-25 20:01
Electronic Structure of Molecules, Clusters and Surfaces Using , Relativistic Effective Core and Co carefully optimized and contain a sufficient number of functions cannot be overstated. Furthermore, once this basis set has been established, post-HF procedures must address the additional concern of size and quality of the subsequent one-electron SCF or multi-configuration (MCSCF) MO basis set and作者: Gene408 時(shí)間: 2025-3-26 00:23
Algebraic Approach to Coupled Cluster Theory,enberg and Greiner, 1972) and various models of solid state physics (Hubbard, 1957,1958), notably the electron gas model (Gell-Mann and Brueckner, 1957; Quinn and Ferrell, 1958). The importance of size-extensivity in finite atomic and molecular systems was first recognized by Primas (1965), even tho作者: Nebulizer 時(shí)間: 2025-3-26 05:45
Correlated and Non-Correlated Wave Functions for Organometallics,s susceptible to qualitatively modify the description of the ground state can be detected from the occurrence of Hartree-Fock instability which makes the energy of the considered system symmetry-dependant.. Introducing a systematic treatment of correlation for large systems in the frame of the Hartr作者: 射手座 時(shí)間: 2025-3-26 10:53
Density Functional Theory, Its Gaussian Implementation and Applications to Complex Systems,n Hartree-Fock (HF) (or, really, Hartree) theory. At the same time the results are usually better than those at the HF level and often are comparable to CI results. This allows rapid treatment of larger systems involving heavy elements, on which the practical success of DFT is based. CI and related 作者: aspect 時(shí)間: 2025-3-26 12:59
Book 1994- the-art of Electron Correlation ... " was carried out [see C.E. Dykstra, (ed), Advanced Theories and Computational Approaches to the Electronic Structure of Molecules, D. Reidel Publishin~ Company, Vol C133, Dordrecht, The Netherlands 1984]. However, during the last five years, it has become clear作者: crease 時(shí)間: 2025-3-26 18:18
W. C. Ermler,M. M. Marinohis paper, an investigation of the seismic response of monuments with fractured structural elements is presented. The distinct element method was used for the analysis and the model employed concerns a part of the Olympieion in Athens, Greece. The results show that the degree of the crack opening du作者: 飛鏢 時(shí)間: 2025-3-26 23:59
Ernest R. Davidsonhis paper, an investigation of the seismic response of monuments with fractured structural elements is presented. The distinct element method was used for the analysis and the model employed concerns a part of the Olympieion in Athens, Greece. The results show that the degree of the crack opening du作者: NOVA 時(shí)間: 2025-3-27 02:43
Nicholas C. Handyng stones. The book consists of invited papers written by leading experts in the field. It contains original contributions concerning the latest developments in the fracture and failure of the natural building stones and their application in the restoration of ancient monuments. It covers a wide ran作者: 知識(shí)分子 時(shí)間: 2025-3-27 09:09
Ron Shepard impact are understood. The recent introduction of Notch Fracture Mechanics has provided a promising tool for this problem. In this approach, there is no fundamental difference between fracture emanating from a notches or a crack. However, the effective fracture stress is sensitive to stress field c作者: 明智的人 時(shí)間: 2025-3-27 11:30
Hans J?rgen Aagaard Jensenach assumes that fatigue or fracture needs a physical process volume. Inside this volume at any point stress plays a role which depends upon its distance to the notch tip and the stress gradient. The hot spot approach is historically more traditional but cannot explain loading mode and scale effects作者: infinite 時(shí)間: 2025-3-27 14:18 作者: BET 時(shí)間: 2025-3-27 19:11 作者: Mercantile 時(shí)間: 2025-3-28 01:53
G. L. Malli composite structures in the framework of catastrophe theory, and lastly describes the transition toward chaos in the dynamics of cracked elements..978-94-024-2028-9978-94-024-2026-5Series ISSN 0925-0042 Series E-ISSN 2214-7764 作者: 抗體 時(shí)間: 2025-3-28 02:14 作者: 最小 時(shí)間: 2025-3-28 08:33 作者: 小口啜飲 時(shí)間: 2025-3-28 10:25 作者: Observe 時(shí)間: 2025-3-28 18:33 作者: cancer 時(shí)間: 2025-3-28 19:57
Relativistic and Electron Correlation Effects in Molecules and Solids作者: PRO 時(shí)間: 2025-3-29 02:29 作者: 內(nèi)部 時(shí)間: 2025-3-29 03:57
G. L. Malli field.Presents state-of-the-art findings.The book explores the two opposite natural trends of composite systems: (i) order and structure emerging from heterogeneity and randomness, and (ii) instability and chaos arising from simple nonlinear rules. Providing insights into the rapidly growing field 作者: 玩忽職守 時(shí)間: 2025-3-29 10:22 作者: 密碼 時(shí)間: 2025-3-29 11:44
W. C. Nieuwpoort,P. J. C. Aerts,L. Visscher field.Presents state-of-the-art findings.The book explores the two opposite natural trends of composite systems: (i) order and structure emerging from heterogeneity and randomness, and (ii) instability and chaos arising from simple nonlinear rules. Providing insights into the rapidly growing field 作者: 一條卷發(fā) 時(shí)間: 2025-3-29 19:01
W. C. Ermler,M. M. Marino seismic behaviour can be attributed to the sliding and rocking of the structural blocks during the strong ground shaking. Unfortunately, damages, which usually exist in such structures, significantly decrease this stability. Previous investigations on the dynamic response of classical columns showe作者: Respond 時(shí)間: 2025-3-29 20:46
Ernest R. Davidson seismic behaviour can be attributed to the sliding and rocking of the structural blocks during the strong ground shaking. Unfortunately, damages, which usually exist in such structures, significantly decrease this stability. Previous investigations on the dynamic response of classical columns showe作者: infelicitous 時(shí)間: 2025-3-30 01:09 作者: 表示問 時(shí)間: 2025-3-30 06:23 作者: 易碎 時(shí)間: 2025-3-30 10:37
Hans J?rgen Aagaard Jensenesulting only in a reduction of the cross section and in fatigue by the fact that the W?hler curve obtained with a notched specimen being below that obtained with a smooth specimen..In any case, the value of maximum stress or maximum stress range at the notch tip is able to describe this effect; exp作者: remission 時(shí)間: 2025-3-30 13:23
Josef Paldusof the notch acuity was strongly debated. and a sharper acuity was recommended. Atthe same time, the introduction of linear elastic fracture mechanics led to the use of pre-cracked Charpy specimens. However the introduction of this kind of specimen has never supplanted the use of the traditional Cha作者: 競(jìng)選運(yùn)動(dòng) 時(shí)間: 2025-3-30 18:40
,Full Configuration Interaction and M?ller-Plesset Theory,Full Configuration Interaction (FCI) calculations [1] are carried out as follows:作者: Addictive 時(shí)間: 2025-3-30 22:53 作者: macular-edema 時(shí)間: 2025-3-31 03:42
978-1-4899-1342-5Springer Science+Business Media New York 1994作者: Handedness 時(shí)間: 2025-3-31 06:34
Relativistic and Electron Correlation Effects in Molecules and Solids978-1-4899-1340-1Series ISSN 0258-1221 作者: BRIEF 時(shí)間: 2025-3-31 09:48 作者: encyclopedia 時(shí)間: 2025-3-31 15:05
https://doi.org/10.1007/978-1-4899-1340-1catalysis; cluster; metals; molecule; structure作者: 聽覺 時(shí)間: 2025-3-31 19:50
Configuration Interaction Wave Functions,ingle Slater determinant and forms a useful starting point for developing an accurate wave function. An improved wave function and energy can be obtained by expanding in a series of Slater determinants. Such an expansion is referred to as a configuration interaction (CI) wave function (Shavitt, 1977).作者: 捐助 時(shí)間: 2025-4-1 01:33
The Unitary Group Approach in Context,echniques used to determine the operators and wavefunctions of many-electron systems. The work is intended for researchers who should find it useful for purposes of practical implementation of the unitary group approach.作者: Mortar 時(shí)間: 2025-4-1 02:12
Immunological Enhancement of Transplanted Organs,. Even in those patients who tolerate immunosuppression without incurring infection or other toxic side-effects, there is after 2 or 3 years of therapy a distressingly high incidence of spontaneous malignancy. Their risk of developing cancer is increased by ten- to twentyfold (Penn and Starzl, 1972)作者: 高原 時(shí)間: 2025-4-1 07:25 作者: agitate 時(shí)間: 2025-4-1 11:56
Inquisitorial Intrigue and the Mexican Irishations of corruption against the outgoing viceroy, the marquis of Cadereyta (1575–.. 1640), who had been appointed as the first native-born viceroy in 1635. John Lamport’s brother, William, who was a layman, was part of Palafox’s entourage.作者: 友好關(guān)系 時(shí)間: 2025-4-1 17:54 作者: 媽媽不開心 時(shí)間: 2025-4-1 21:41
