標(biāo)題: Titlebook: Local Density Approximations in Quantum Chemistry and Solid State Physics; Jens Peder Dahl,John Avery Book 1984 Springer Science+Business [打印本頁] 作者: foresight 時(shí)間: 2025-3-21 16:12
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作者: 門窗的側(cè)柱 時(shí)間: 2025-3-21 22:50 作者: 精美食品 時(shí)間: 2025-3-22 03:34
Density Functional Theory and Local Potential Approximations from Momentum Space Considerationsange potential in the Hartree-Fock equations or from the exchange-correlation term in the density functional expression for the energy. These correspond respectively to the Slater and Kohn-Sham-Gaspar approaches to the derivation of the .. exchange potential, i.e. .=1 and .=2/3 respectively in the x. exchange potential.作者: Nonporous 時(shí)間: 2025-3-22 08:03
The Mechanics of and an Equation for the Electronic Charge Densityector differential equation for the charge density. Taking the divergence of both sides of this equation yields a fourth-order partial differential equation determining . in terms of the external potential.作者: 施加 時(shí)間: 2025-3-22 12:40 作者: 認(rèn)為 時(shí)間: 2025-3-22 13:59
The Constrained Search Approach, Mappings to External Potentials, and Virial-Like Theorems for Electe information embedded within its ground-state wave-function. Specifically, as proved by Hohenberg and Kohn, a ground-state electron density contains sufficient information to determine the more complicated ground-state wavefunctions..作者: 異端邪說下 時(shí)間: 2025-3-22 20:31 作者: 鄙視 時(shí)間: 2025-3-23 00:55 作者: Surgeon 時(shí)間: 2025-3-23 04:14 作者: fiscal 時(shí)間: 2025-3-23 06:37 作者: Nonporous 時(shí)間: 2025-3-23 11:06
Self-Interaction CorrectionAn electron can interact coulombically with other electrons but not with itself. Approximations for many-electron systems which violate this simple principle are candidates for ..作者: obeisance 時(shí)間: 2025-3-23 17:42
Some Approaches to Density Functional TheoryDuring the last few years, much attention has been focused on density functional theory, a theory which originated with the early work of Fermi,. Dirac,. Slater. and Gombas..* This is well illustrated by the present Symposium.作者: 毗鄰 時(shí)間: 2025-3-23 21:52 作者: venous-leak 時(shí)間: 2025-3-24 01:00
On the Extension of the Statistical Energy Expression to Multi-Determinantal Wave FunctionsIt is shown in section 2 of this chapter, based on previous work by Ziegler, Rauk and Baerends,. that the statistical energy expression due to Slater. only can be justified by the statistical exchange approximation for the special case, where the n-electron wave function is represented by a single Slater determinant.作者: Fibroid 時(shí)間: 2025-3-24 06:15 作者: Accrue 時(shí)間: 2025-3-24 08:52 作者: CLEAR 時(shí)間: 2025-3-24 13:53 作者: 責(zé)怪 時(shí)間: 2025-3-24 15:04 作者: 變形 時(shí)間: 2025-3-24 22:08 作者: extemporaneous 時(shí)間: 2025-3-24 23:37
978-1-4899-2144-4Springer Science+Business Media New York 1984作者: 無法解釋 時(shí)間: 2025-3-25 04:55
ing of a partially ordered set of instances of actions, together with its executing agent. The execution of a plan can be monitored by making partial observations of the results of actions. Like in standard model-based diagnosis, observed deviations from the expected outcomes are explained qualifyin作者: 原諒 時(shí)間: 2025-3-25 08:35 作者: GIST 時(shí)間: 2025-3-25 11:49
Vedene H. Smith Jr. this volume, you will ?nd papers or abstracts of its six invited talks, 25 full papers, and 21 posters. The full papers were selected from 81 submissions, resulting in an acceptance rate of 32%. AsusualataKIconference,anentiredaywasreservedfortargetedworkshops – ten of them this year – and two tuto作者: Gingivitis 時(shí)間: 2025-3-25 16:28
Robert G. Parrman Research Center for Arti?cial Intelligence DFKI GmbH in Kaiserslautern, Germany. The conference series started in 1975 with the German Workshop on AI (GWAI), which took place in Bonn, and represents the ?rst forum of its type for the German AI Community. Over the years AI has become a major ?eld作者: 個(gè)人長(zhǎng)篇演說 時(shí)間: 2025-3-25 22:00
Scott H. Werden,Ernest R. Davidsonerborn, Germany on September 15–18, 2009, continuing a series of successful events. Starting back in 1975 as a national meeting, the conference now gathers - searchers and developers from academic ?elds and industries worldwide to share their research results covering all aspects of arti?cial intell作者: MOTIF 時(shí)間: 2025-3-26 01:31 作者: 去掉 時(shí)間: 2025-3-26 05:01
Norman H. March,Renato Pucciust accomplish a temporal segmentation of action sequences. We attempt to reproduce human temporal segmentations with Bayesian binning (BB) [8]. Such a reproduction would not only help our understanding of human visual processing, but would also have numerous potential applications in computer visio作者: Ascribe 時(shí)間: 2025-3-26 12:14 作者: Sigmoidoscopy 時(shí)間: 2025-3-26 13:33 作者: 改變 時(shí)間: 2025-3-26 18:05 作者: AMPLE 時(shí)間: 2025-3-26 21:39
Mel Levydied by the AI community in recent years, this is not true for doppelkopf. However, it has a substantially larger state space than skat and a unique key feature which distinguishes it from skat and other card games: players usually do not know with whom they play at the start of a game, figuring out作者: adroit 時(shí)間: 2025-3-27 01:59 作者: Uncultured 時(shí)間: 2025-3-27 08:10
Eugene S. Kryachkodied by the AI community in recent years, this is not true for doppelkopf. However, it has a substantially larger state space than skat and a unique key feature which distinguishes it from skat and other card games: players usually do not know with whom they play at the start of a game, figuring out作者: Conducive 時(shí)間: 2025-3-27 09:43
O. Gunnarsson,R. O. Jonesdied by the AI community in recent years, this is not true for doppelkopf. However, it has a substantially larger state space than skat and a unique key feature which distinguishes it from skat and other card games: players usually do not know with whom they play at the start of a game, figuring out作者: sparse 時(shí)間: 2025-3-27 16:36 作者: condescend 時(shí)間: 2025-3-27 18:32 作者: 隱士 時(shí)間: 2025-3-27 22:13 作者: 皺痕 時(shí)間: 2025-3-28 02:37 作者: HUSH 時(shí)間: 2025-3-28 10:04
William L. Luken,John C. Culberson online decisions) - in the context of a simple online fair division model where items arrive one by one and are allocated to agents via some mechanism. We consider four such online mechanisms: the popular . matching mechanism adapted from online bipartite matching and the ., . and . allocation mech作者: 臭了生氣 時(shí)間: 2025-3-28 10:38 作者: 史前 時(shí)間: 2025-3-28 16:44
Density Functional Theory and Local Potential Approximations from Momentum Space Considerationsquantities defined in the respective spaces. We shall consider next the basic theorems of density functional theory from the point of view of quantum mechanics in momentum space. We turn then to consideration of the Schr?dinger equation in momentum space and in particular the Hartree-Fock equations.作者: mighty 時(shí)間: 2025-3-28 18:50 作者: 高歌 時(shí)間: 2025-3-29 01:00 作者: 平靜生活 時(shí)間: 2025-3-29 06:24
Density, Total Energy and Chemical Potential of Atomic Ions and some Moleculesction 2, we briefly consider first the one-electron treatment of atoms and molecules given by Thomas and Fermi. in terms of .(r→), with its extension to include exchange, first given by Dirac.. This treatment is formally generalized to yield the Euler equation of the density functional theory which 作者: bile648 時(shí)間: 2025-3-29 08:32 作者: 舉止粗野的人 時(shí)間: 2025-3-29 15:21 作者: 全部 時(shí)間: 2025-3-29 19:23 作者: enormous 時(shí)間: 2025-3-29 19:45
Exchange-Correlation Energy Functionals in the Density Functional Formalismultiplet structure of atoms. Although trends are generally reproduced very well, some less satisfactory results are pointed out. An exact relationship between the exchange-correlation energy functional and the pair correlation function is used to make the relative success of the LSD approximation mo作者: 整頓 時(shí)間: 2025-3-30 01:33
An Approach to Electron Correlation beyond the Local Spin Density Approximationed by other authors in earlier quantum chemical studies. By using this expression for a system of N interacting electrons moving in some external potential and by invoking the Hohenberg-Kohn theorem, we obtain on minimizing the total energy of the system a set of one-particle equations which are for作者: EWER 時(shí)間: 2025-3-30 05:28
The Weizsacker Term, its Corrections and Virial Partitioning in Density Functional Theoryorrect expression for an infinite homogeneous electron gas, it has been argued. that those corrections which account for the finite size of a system and for the non-uniformity of the charge density ., should involve terms of the form ?. and of higher derivatives of ..作者: Oversee 時(shí)間: 2025-3-30 11:18
The Second Order Reduced Density Matrix and the Chemical Bondthe Fermi hole to the position of the probe electron is described by the Fermi hole mobility function. Localized molecular orbitals analogous to Wannier functions may be determined from the Fermi hole of a self-consistent field (SCF) electronic wavefunction. Comparison of the Fermi hole mobility fun作者: 分期付款 時(shí)間: 2025-3-30 15:24
Characteristic Function Approach to Density Matrix Calculationsns with the aid of a Laplace transform. Reorganization of the resulting equations makes it possible to deal with an inversion problem. The relation between the characteristic function and the solutions of these algebraic equations is demonstrated.作者: 掙扎 時(shí)間: 2025-3-30 16:33
sal rules that relate health states of the agent and health states of actions to abnormalities of other action instances. These rules enable us to introduce causal set and causal effect diagnoses that use the underlying causes of plan failing to explain deviations and to predict future anomalies in 作者: 1FAWN 時(shí)間: 2025-3-30 22:38
subqueries by evaluating the subqueries individually. Next, it is described how the problem of finding relaxations returning ‘.’ products can be efficiently solved by analyzing these partial query results in memory. Finally, we show how a general-purpose conflict detection algorithm can be applied f作者: scrape 時(shí)間: 2025-3-31 03:00 作者: 概觀 時(shí)間: 2025-3-31 08:55 作者: Physiatrist 時(shí)間: 2025-3-31 12:51
B. M. Debudes in an unsupervised manner from unpartitioned data, with a variant of shift-NMF that is extended to support the event-like encoding. We present our model on the generation of handwritten character trajectories and show that we can generate good reconstructions of characters with shared primitive作者: indecipherable 時(shí)間: 2025-3-31 13:49
