標(biāo)題: Titlebook: Isaiah Shavitt; A Memorial Festschri Ron Shepard,Russell M. Pitzer,Thom Dunning Book 2016 Springer-Verlag Berlin Heidelberg 2016 Isaiah Sha [打印本頁] 作者: 法庭 時間: 2025-3-21 16:28
書目名稱Isaiah Shavitt影響因子(影響力)
書目名稱Isaiah Shavitt影響因子(影響力)學(xué)科排名
書目名稱Isaiah Shavitt網(wǎng)絡(luò)公開度
書目名稱Isaiah Shavitt網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Isaiah Shavitt被引頻次
書目名稱Isaiah Shavitt被引頻次學(xué)科排名
書目名稱Isaiah Shavitt年度引用
書目名稱Isaiah Shavitt年度引用學(xué)科排名
書目名稱Isaiah Shavitt讀者反饋
書目名稱Isaiah Shavitt讀者反饋學(xué)科排名
作者: extemporaneous 時間: 2025-3-21 23:16 作者: 不可侵犯 時間: 2025-3-22 03:41
https://doi.org/10.1007/978-3-662-48148-6Isaiah Shavitt Festschrift; One-dimensional Hubbard models; Performance of Density Functionals; Shavitt作者: murmur 時間: 2025-3-22 06:15
Biconfluent Heun equation in quantum chemistry: Harmonium and related systems,Schr?dinger equation for harmonium and related models may be transformed to the biconfluent Heun equation. The solubility of this equation and its applications in quantum chemistry are briefly discussed.作者: 預(yù)兆好 時間: 2025-3-22 12:42
,Massively parallel spin–orbit configuration interaction,l CI method that explicitly includes one-electron spin – orbit operators and certain scalar relativistic effects extracted from relativistic effective core potentials. The performance of the PSOCI code is analyzed on several large-scale computing platforms.作者: CANT 時間: 2025-3-22 16:21 作者: indignant 時間: 2025-3-22 19:45
978-3-662-51670-6Springer-Verlag Berlin Heidelberg 2016作者: 多產(chǎn)子 時間: 2025-3-22 21:48 作者: 甜得發(fā)膩 時間: 2025-3-23 01:30
Jacek Karwowski,Henryk A. Witekeachers endeavored to do. Such old beliefs were powerful determinants of expectations of educators, parents and the students themselves. This new belief, that “all children can learn,” has changed the popular conception of the likely effectiveness of schools—or, has it?作者: 四指套 時間: 2025-3-23 06:56
Rei Matsuzaki,Shigeko Asai,C. William McCurdy,Satoshi Yabushitances for performance. In the last two years, partly as the result of the report of the National Council on Education Standards and Testing (1992), performance assessment has often been paired with reforms of the goals and content of schooling, and advocated as the concrete means by which to assess t作者: Immortal 時間: 2025-3-23 12:19 作者: macabre 時間: 2025-3-23 16:43 作者: 悄悄移動 時間: 2025-3-23 20:48 作者: IST 時間: 2025-3-23 22:12
Meiling Zhang,Yanjun Hao,Yundong Guo,Yaoming Xie,Henry F. Schaeferulum designers, and teacher educators interested in fostering initiatives in higher education can undoubtably benefit from this book‘s contents, which are aimed at adapting teaching–learning assessment processes to the unique learning needs of culturally diverse student populations.??.作者: 圓錐體 時間: 2025-3-24 04:35
Wave function analysis with Shavitt graph density in the graphically contracted function method,d to demonstrate their utility in analyzing the changes in wave function character along potential energy surfaces and near avoided crossings. Finally, we demonstrate that the graph density exposes the structure of the exact wave function for a system of noninteracting molecules as a product of the 作者: 明智的人 時間: 2025-3-24 10:06
Aspects of size extensivity in unitary group adapted multireference coupled cluster theories: the rassociated connected components of the spin-free reduced density matrices (RDMs) obtained via their cumulant decomposition and (c) showing the extensivity of the cluster amplitudes for non-interacting groups of orbitals and eventually of the sizeconsistency of the theories in the fragmentation limit作者: Obstruction 時間: 2025-3-24 11:22
The Wuppertal multireference configuration interaction (MRD-CI) program system, variational in character, it can be easily combined with perturbative techniques that allow one to approximate the corresponding full CI energies to a high degree of accuracy. The speed with which Hamiltonian matrix elements can be calculated makes it feasible to use the Direct CI approach which re作者: acolyte 時間: 2025-3-24 15:28
,Spin – orbit DFT with analytic gradients and applications to heavy element compounds,cies of both ( UO.. ) aq and ( UO.) aq with and without spin – orbit effects. The effects of the spin – orbit interaction on the structures and frequencies of these two complexes are discussed. We also carried out calculations for Th. , and several low-lying electronic states are calculated. Our res作者: 被詛咒的人 時間: 2025-3-24 21:33 作者: reperfusion 時間: 2025-3-25 03:06
,SDS: the ‘static–dynamic–static’ framework for strongly correlated electrons, as SDS-MS-MRPT2) that scales computationally with the fifth power of the molecular size. Depending on how .. is defined, various variants of SDS-MS-MRPT2 can be obtained. For simplicity, we here choose .. as a multipartitioned M?ller–Plesset-like diagonal operator. Further combined with the string-作者: 非秘密 時間: 2025-3-25 04:23
Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-eleDM. We observe that the DQGT conditions are effective at capturing strong electron correlation effects in both one- and quasi-one-dimensional lattices for both half filling and less-than-half filling.作者: Acetabulum 時間: 2025-3-25 07:43 作者: 要求比…更好 時間: 2025-3-25 15:19 作者: ETHER 時間: 2025-3-25 15:48
A comparison of singlet and triplet states for one- and two-dimensional graphene nanoribbons using f the electronic character of these compounds. The present findings suggest that the ground state is a singlet for the smaller members of these series, but that for the larger ones, singlet and triplet states are quasi-degenerate. Both the acenes and periacenes exhibit significant polyradical charac作者: 貴族 時間: 2025-3-25 20:57 作者: 抗體 時間: 2025-3-26 00:21 作者: compose 時間: 2025-3-26 05:32
Shawn Horn,Felix Plasser,Thomas Müller,Florian Libisch,Joachim Burgd?rfer,Hans Lischkaion can undoubtably benefit from this book‘s contents, which are aimed at adapting teaching–learning assessment processes to the unique learning needs of culturally diverse student populations.??.978-3-030-71646-2978-3-030-71644-8作者: NAUT 時間: 2025-3-26 08:32
Rahul Maitra,Debalina Sinha,Sangita Sen,Debashis Mukherjee作者: indignant 時間: 2025-3-26 16:17
Robert J. Buenker,Robin A. Phillips,Stefan Krebs,Heinz-Peter Liebermann,Aleksey B. Alekseyev,Peter F作者: 暫停,間歇 時間: 2025-3-26 20:46 作者: 掃興 時間: 2025-3-26 22:30 作者: GRUEL 時間: 2025-3-27 02:36
2194-8666 cated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print form作者: 鳥籠 時間: 2025-3-27 07:10 作者: Hallowed 時間: 2025-3-27 12:21
Unitary group approach to the many-electron correlation problem: spin-dependent operators,adapted UGA basis. This leads naturally to a segmentation of these MEs and enables the evaluation of spindependent one-body operators while relying largely on the segment values of the standard spin-independent UGA.作者: Trypsin 時間: 2025-3-27 14:19
Efficient evaluation of exchange integrals by means of Fourier transform of the 1/, operator and ittion of (.|.) integrals may cease to be a bottleneck in electron scattering calculations. A message to quantum chemists is that the combination of the integral fragmentation and the use of GPU units is a general tool which may improve performance of computational methods of different types.作者: 緯度 時間: 2025-3-27 18:16
Finite-temperature full configuration interaction, zeroth-order manybody perturbation theory, in which the Fermi–Dirac statistics is exact. Analytical asymptotic properties in the lowor high-temperature limits of some of these thermodynamic potentials are also given.作者: 使痛苦 時間: 2025-3-27 23:47
Performance of density functionals for computation of core electron binding energies in first-row homising density functionals are identified that can reproduce experimental results within 0.2 eV on average for the absolute binding energies and also for the intramolecular and intermolecular shifts in the studied molecules.作者: Comedienne 時間: 2025-3-28 05:06 作者: Kidnap 時間: 2025-3-28 08:31 作者: 的事物 時間: 2025-3-28 12:38
Isaiah Shavitt: Computational chemistry pioneer,loating point arithmetic to the days of massively powerful computers, he showed how we could solve otherwise intractable chemical problems by making use of computers. He started with a statistical mechanical problem and soon switched to quantum mechanical problems. He and his associates showed how t作者: V切開 時間: 2025-3-28 18:27 作者: 喪失 時間: 2025-3-28 20:31 作者: 送秋波 時間: 2025-3-29 01:40 作者: Esophagitis 時間: 2025-3-29 04:34
Efficient evaluation of exchange integrals by means of Fourier transform of the 1/, operator and it transform of the 1/. operator, and we devise a method that allows us to employ a manageable number of plane waves in the Fourier expansion while still keeping necessary accuracy. Resulting formulas are amenable for efficient evaluation on graphics processing units (GPU) devices. We discuss the GPU 作者: pancreas 時間: 2025-3-29 09:18
The Wuppertal multireference configuration interaction (MRD-CI) program system,systems by designating a set of reference configurations from which only single- and double-orbital substitutions are allowed to generate the many-electron basis. The present review discusses how configuration-driven algorithms can be applied to form the corresponding Hamiltonian matrix representati作者: ascetic 時間: 2025-3-29 12:15 作者: 支柱 時間: 2025-3-29 17:17 作者: headway 時間: 2025-3-29 19:55
,Spin – orbit DFT with analytic gradients and applications to heavy element compounds,is the analytic gradient in the DFT approach with spin – orbit interactions. The current capabilities include single-point calculations and geometry optimization. Vibrational frequencies can be calculated numerically from the analytically calculated gradients. The implementation is based on the spin作者: epidermis 時間: 2025-3-30 02:20 作者: 言行自由 時間: 2025-3-30 04:54 作者: Generic-Drug 時間: 2025-3-30 10:04 作者: 諄諄教誨 時間: 2025-3-30 14:19
,Singlet–triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods,e become test systems for the applications of various multi-reference (MR) coupled-cluster methods. We report results close to the basis set limit computed with double ionization potential (DIP) and double electron attachment (DEA) equation-of-motion coupled-cluster methods. These diradicals share t作者: LATHE 時間: 2025-3-30 17:39 作者: accomplishment 時間: 2025-3-30 21:34
Anchoring the potential energy surface for the , reaction,l energy surface for the Br + H.O → HBr + OH reaction, including the entrance complex, transition state, and exit complex, have been studied using the CCSD(T) method with correlation-consistent basis sets up to cc-pV5Z-PP. Contrary to the valence isoelectronic F + H2O system, the Br + H.O reaction i作者: 強(qiáng)制令 時間: 2025-3-31 02:21 作者: Generalize 時間: 2025-3-31 07:56
Why edge inversion? Theoretical characterization of the bonding in the transition states for invershrough a T-shaped transition state (edge inversion) rather than the D.-like transition states (vertex inversion) found in the corresponding nitrogen compounds and less fluorinated phosphorus compounds. Subsequent studies by Dixon and coworkers established that this is a general phenomenon and has im作者: 永久 時間: 2025-3-31 09:32
A comparison of singlet and triplet states for one- and two-dimensional graphene nanoribbons using purpose, highlevel ab initio calculations have been performed using the multireference averaged quadratic coupled cluster theory and the COLUMBUS program package. A reference space consisting of restricted and complete active spaces is taken for the π-conjugated space, correlating 16 electrons with 作者: acclimate 時間: 2025-3-31 13:42
Jacek Karwowski,Henryk A. Witekof research based on the database created by the Michigan Educational Assessment Program, the result of a careful research effort of Michigan schools by researchers such as Wilbur Brookover, Larry Lezotte, and the late Ron Edmonds (See Lezotte, 1989). Termed the “effective schools research,” these a作者: 詞匯記憶方法 時間: 2025-3-31 20:28
Rei Matsuzaki,Shigeko Asai,C. William McCurdy,Satoshi Yabushitam. The interest in performance assessment represents nothing less than a grass-roots rebellion against an assessment system that has made little sense to most of its users. The advocacy for performance assessment extends well beyond its usefulness as an improved source of educational information. Pe作者: prolate 時間: 2025-4-1 00:39 作者: Atrium 時間: 2025-4-1 04:50 作者: Muscularis 時間: 2025-4-1 06:46
Nicholas C. Rubin,David A. Mazziottiof research based on the database created by the Michigan Educational Assessment Program, the result of a careful research effort of Michigan schools by researchers such as Wilbur Brookover, Larry Lezotte, and the late Ron Edmonds (See Lezotte, 1989). Termed the “effective schools research,” these a作者: gastritis 時間: 2025-4-1 10:25 作者: Dendritic-Cells 時間: 2025-4-1 15:04 作者: 方便 時間: 2025-4-1 20:39 作者: 青少年 時間: 2025-4-1 22:38
