標題: Titlebook: Quantum Systems in Chemistry and Physics. Trends in Methods and Applications; Roy McWeeny,Jean Maruani,Stephen Wilson Book 1997 Springer S [打印本頁] 作者: 宣告無效 時間: 2025-3-21 18:32
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications影響因子(影響力)
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications影響因子(影響力)學科排名
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications網絡公開度
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications網絡公開度學科排名
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications被引頻次
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications被引頻次學科排名
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications年度引用
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications年度引用學科排名
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications讀者反饋
書目名稱Quantum Systems in Chemistry and Physics. Trends in Methods and Applications讀者反饋學科排名
作者: accordance 時間: 2025-3-21 22:11 作者: Nomogram 時間: 2025-3-22 03:28 作者: 罵人有污點 時間: 2025-3-22 07:42
https://doi.org/10.1007/978-94-011-4894-8adsorption; chemical reaction; chemical structure; chemistry; condensed matter; electron; hydrogen; scatter作者: RUPT 時間: 2025-3-22 09:01
The Relativistic Quantum Defect Orbital Method and some of its ApplicationsJustification of a simple and reliable relativistic procedure for the prediction of a large body of transition probability data is made. The main features of the Relativistic Quantum Defect Orbital (RQDO) formalism are described, and several examples of the data yielded by this method are presented in tabular and graph forms.作者: achlorhydria 時間: 2025-3-22 15:18 作者: Allergic 時間: 2025-3-22 20:25 作者: 全能 時間: 2025-3-23 00:46
Fragmentation of Ar3 +: The Role of Rotational and Vibrational Predissociation Dynamicsomputational methods have been employed and the effects of the total angular momentum of the system have been evaluated. It is found that the observed metastability can be explained with the lengthening of the lifetimes produced by the centrifugal barrier.作者: surrogate 時間: 2025-3-23 02:17 作者: perjury 時間: 2025-3-23 07:48 作者: 陪審團每個人 時間: 2025-3-23 09:54
Studies of Chemical Structure, Spectroscopy and Electron Scattering Using Generalized Multistructuraized wavefunctions. It also provides a very efficient and convenient way of treating the electron correlation problem, avoiding large configuration interaction (CI) expansions The final wave functions are much more compact and easier to interpret than those obtained by the conventional methods, using orthogonal orbitals.作者: 泄露 時間: 2025-3-23 14:30
Multireference Brillouin—Wigner Coupled-Cluster Theory: Hilbert Space Approachn analogy. Using the Hilbert space approach to the wave operator we present basic equations of the MR BWCCSD approximation, i.e. a coupled-cluster method with the inclusion of singly and doubly excited cluster components.作者: intolerance 時間: 2025-3-23 18:02 作者: 巨碩 時間: 2025-3-24 01:01
Book 1997 San Miniato, near Pisa, Italy, inApril 1996. .The Workshop brought together leading experts in theoretical chemistryand molecular physics with an interest in the quantum mechanicalmany-body problem. This volume provides an insight into the latestresearch in this increasingly important field. Throug作者: parasite 時間: 2025-3-24 02:25 作者: 喚醒 時間: 2025-3-24 09:57 作者: ATRIA 時間: 2025-3-24 10:50
Separability in Quantum Mechanicssence of certain ‘structural units’, each with a ‘personal’ identity. The aim of this paper is to account for the striking success of this model and to develop the mathematical tools for its refinement and exploitation. At the root of the concept of separability lies the possibility of factorizing t作者: 儀式 時間: 2025-3-24 15:10 作者: 排名真古怪 時間: 2025-3-24 21:47
A New Approach to Valence Bond Calculations: CASVBerate modern valence-bond representations of CASSCF structure spaces. These various procedures, which we term CASVB, are made possible by a highly efficient algorithm for performing exactly the transformations of full CI spaces that arise from general, non-unitary orbital transformations. As example作者: 用肘 時間: 2025-3-24 23:59
Studies of Chemical Structure, Spectroscopy and Electron Scattering Using Generalized Multistructura of molecules, acidity of aliphatic alcohols and carboxylic acids, and electron scattering processes are presented. This wavefunction combines the advantages of the self-consistent field molecular orbital (SCF-MO) and valence bond (VB) models, preserving the classical chemical structures but optimiz作者: 后退 時間: 2025-3-25 04:45
The Characteristic (Crossover) Temperature in the Theory of Thermally Activated Tunneling Processesinitions of this concept are discussed. The analysis reveals the various aspects of the characteristic temperature and its derivatives in electron emission theory and reaction rate theory, including the proper dynamic and the stochastic approaches to the latter theory.作者: 星球的光亮度 時間: 2025-3-25 11:35
An Improved Method of Relaxation Rate Calculation in Double-Well Potential Systems equation. Depending on the temperature, the relaxation behavior of these systems is either quantum-mechanical or classical. The quantum-mechanical behavior is quite similar to that of two-level systems for which the tunneling model has been developed. On the other hand, the reaction rate method has作者: 大火 時間: 2025-3-25 13:11 作者: Metastasis 時間: 2025-3-25 19:34
Effect of the Vibrational/Rotational Energy Partitioning on the Energy Transfer in Atom—Triatomic Morgy transfer is studied for a model atomtriatomic molecule system. We considered the collisions of thermal bath Ar atoms with SO. molecules, and used the trajectory calculations for determining the energy transfer for three different samplings of initial conditions of the molecule. The first samplin作者: 輕打 時間: 2025-3-25 22:11 作者: ALTER 時間: 2025-3-26 01:20 作者: 無可非議 時間: 2025-3-26 07:59
Energy Estimates for Local Chemical Processes in Condensed Matterdopted is based on a partition of the system into a local and an external region: it is assumed that all important changes in the electronic structure and nuclear configuration related with the process considered take place in the local region, while the solution for the unperturbed host system can 作者: predict 時間: 2025-3-26 08:50
Theoretical Study of the TiO2 and MgO Surface Acidity and the Adsorption of Acids and Bases or dissociative. This depends on their acid and basic properties in the gas phase. For the molecular adsorption, the molecules are adsorbed as bases on Ti(+IV) sites, the adsorption energies correlate with the proton affinities. The dissociations on the surface correlate with the gas phase cleavage作者: 發(fā)源 時間: 2025-3-26 12:37
Optical Spectra of High-Temperature Superconductorsasis is laid on experiments involving single crystals and good textured ceramic samples. Data have been collected on chemically doped samples, as well as on samples in which carriers are created by photodoping. One of the most remarkable consequences is the observation of a photoinduced superconduct作者: 勤勉 時間: 2025-3-26 19:13
Multireference Brillouin—Wigner Coupled-Cluster Theory: Hilbert Space Approache Hilbert space approach. We present two computational strategies, namely the ‘multi-root’ as well as ‘single-root’ formulations of the multireference Brillouin—Wigner coupled-cluster (MR BWCC) theory and we discuss their relations to existing multireference coupled-cluster (MR CC) theories. We show作者: NEEDY 時間: 2025-3-26 23:44 作者: 青春期 時間: 2025-3-27 01:41 作者: 難聽的聲音 時間: 2025-3-27 05:20
On the Evaluation of the Matrix Elements Between Non-Orthogonal Slater Determinantsr-value decomposition theorem a simple and general expression is derived for the cofactors needed in the L?wdin formula. The algorithm proposed has a cost in terms of CPU time proportional to .., . being the number of electrons, and does not present any problem of data storage.作者: ASTER 時間: 2025-3-27 11:56 作者: 時間等 時間: 2025-3-27 14:39
0927-0817 t, held at San Miniato, near Pisa, Italy, inApril 1996. .The Workshop brought together leading experts in theoretical chemistryand molecular physics with an interest in the quantum mechanicalmany-body problem. This volume provides an insight into the latestresearch in this increasingly important fie作者: lipoatrophy 時間: 2025-3-27 20:14 作者: 討好女人 時間: 2025-3-28 01:40
Optimized Effective Potential for Atoms and Moleculesbination of the exact exchange energy functional with the correlation energy functional of Colle and Salvetti works extremely well for atomic systems, while further improvement is required for molecular systems.作者: 違抗 時間: 2025-3-28 04:58 作者: PRE 時間: 2025-3-28 09:43 作者: Communal 時間: 2025-3-28 10:59
I. Rosenblum,E. I. Dashevskaya,E. E. Nikitin,I. Oref作者: cuticle 時間: 2025-3-28 14:36 作者: dominant 時間: 2025-3-28 19:07 作者: Pathogen 時間: 2025-3-29 02:15 作者: PUT 時間: 2025-3-29 06:01 作者: NOMAD 時間: 2025-3-29 08:11
An Improved Method of Relaxation Rate Calculation in Double-Well Potential Systems’ defect renters, H. ion at E’. centers) and high-temperature superconducting cuprates (apical O(A) atoms). The calculations presented allow one to give a theoretical description of the relaxation response in these materials under the action of an external field.作者: REIGN 時間: 2025-3-29 12:39
Energy Estimates for Local Chemical Processes in Condensed Matterof the perturbation created by the defect in the local region. The case of the color center in the MgO monolayer is used to show the importance of one of these contributions to Δ., the so-called charge balance correction, by comparing embedded-cluster with supercell results.作者: 急性 時間: 2025-3-29 17:40 作者: custody 時間: 2025-3-29 20:47
Book 1997ation, valence theory, nuclear motion,response theory, condensed matter, and chemical reactions. ..Audience:. The volume will be of interest to those working in themolecular sciences and to theoretical chemists and molecularphysicists in particular.作者: 小臼 時間: 2025-3-30 01:01
0927-0817 ron correlation, valence theory, nuclear motion,response theory, condensed matter, and chemical reactions. ..Audience:. The volume will be of interest to those working in themolecular sciences and to theoretical chemists and molecularphysicists in particular.978-94-010-6052-3978-94-011-4894-8Series ISSN 0927-0817 作者: 心神不寧 時間: 2025-3-30 05:55
Roy McWeenyrung erfasst. Der Hall-Effekt wird diskutiert. Abschn. 3.4 behandelt Halbleiter. In Abschn. 3.5 wird gezeigt, wie Hall-Effekt und Zyklotron-Resonanz benutzt werden k?nnen, charakteristische Eigenschaften eines Halbleiters zu messen. In Abschn. 3.6 wird der Quanten-Hall-Effekt kurz behandelt.作者: hurricane 時間: 2025-3-30 08:25 作者: 說不出 時間: 2025-3-30 13:41 作者: beta-cells 時間: 2025-3-30 16:51
Marco Antonio Chaer Nascimento Eigenschaften geh?ren zum Beispiel eine gro?e Dehnbarkeit und Bruchfestigkeit, eine von der Temperatur unabh?ngige elektrische Leitf?higkeit, eine hohe magnetische Permeabilit?t, eine kleine Koerzitivkraft und eine ungew?hnlich gro?e Korrosionsfestigkeit. In dieser einführenden Darstellung der Fest作者: arbiter 時間: 2025-3-30 23:33 作者: 捐助 時間: 2025-3-31 03:22 作者: 侵略者 時間: 2025-3-31 06:12 作者: 無孔 時間: 2025-3-31 10:31
Roy McWeenyses. In Abschn. 3.1 wird dieses Modell dazu benutzt, den Beitrag der quasifreien Elektronen zur spezifischen W?rme und zur W?rmeleitf?higkeit eines Metalls zu ermitteln. Glühemission und metallische Bindung werden untersucht. Die Frage, weshalb in gewissen Festk?rpern Leitungselektronen vorhanden si作者: ornithology 時間: 2025-3-31 13:32
Thorstein Thorsteinsson,David L. Cooper,Joseph Gerratt,Mario Raimondi erkl?ren. Hierbei unterscheidet man zwischen kristallinem und amorphem Zustand. Eine kristalline Substanz ist dadurch gekennzeichnet, da? ihre Bausteine r?umlich periodisch angeordnet sind. Eine amorphe Substanz weist im Nahbereich zwar auch eine gewisse Ordnung auf, es fehlt bei ihr aber die r?uml作者: 誓言 時間: 2025-3-31 20:24 作者: 鋪子 時間: 2025-3-31 22:34
S. G. Christov erkl?ren. Hierbei unterscheidet man zwischen kristallinem und amorphem Zustand. Eine kristalline Substanz ist dadurch gekennzeichnet, da? ihre Bausteine r?umlich periodisch angeordnet sind. Eine amorphe Substanz weist im Nahbereich zwar auch eine gewisse Ordnung auf, es fehlt bei ihr aber die r?uml
