標(biāo)題: Titlebook: Excited States in Quantum Chemistry; Theoretical and Expe Cleanthes A. Nicolaides,Donald R. Beck Book 1979 D. Reidel Publishing Company, Do [打印本頁(yè)] 作者: FROM 時(shí)間: 2025-3-21 18:27
書目名稱Excited States in Quantum Chemistry影響因子(影響力)
書目名稱Excited States in Quantum Chemistry影響因子(影響力)學(xué)科排名
書目名稱Excited States in Quantum Chemistry網(wǎng)絡(luò)公開(kāi)度
書目名稱Excited States in Quantum Chemistry網(wǎng)絡(luò)公開(kāi)度學(xué)科排名
書目名稱Excited States in Quantum Chemistry被引頻次
書目名稱Excited States in Quantum Chemistry被引頻次學(xué)科排名
書目名稱Excited States in Quantum Chemistry年度引用
書目名稱Excited States in Quantum Chemistry年度引用學(xué)科排名
書目名稱Excited States in Quantum Chemistry讀者反饋
書目名稱Excited States in Quantum Chemistry讀者反饋學(xué)科排名
作者: ferment 時(shí)間: 2025-3-21 22:05 作者: Needlework 時(shí)間: 2025-3-22 02:40 作者: heckle 時(shí)間: 2025-3-22 04:53
Excitons in Solids,mely the quantum mechanical fluid composed entirely of electrons and holes [2]. The exciton mechanism of superconductivity [3] and experimental evidence [4] are the subjects of the last lecture. This last part is still under study and the lecture will point out the current situation.作者: 混亂生活 時(shí)間: 2025-3-22 09:26 作者: botany 時(shí)間: 2025-3-22 13:03
https://doi.org/10.1007/978-3-662-57749-3incidence measurements which may supply additional data. The photoelectron spectrum (PES) contains a lot of information. There are the different electronic states, each ionization process giving rise to a band. These bands show vibrational and rotational structure in the case of molecules.作者: botany 時(shí)間: 2025-3-22 18:55 作者: PHIL 時(shí)間: 2025-3-23 00:54
,On Green’s Function Methods for the Study of Ionic States in Atoms and Molecules,incidence measurements which may supply additional data. The photoelectron spectrum (PES) contains a lot of information. There are the different electronic states, each ionization process giving rise to a band. These bands show vibrational and rotational structure in the case of molecules.作者: Minutes 時(shí)間: 2025-3-23 03:27 作者: 別炫耀 時(shí)間: 2025-3-23 06:44
Forschungsfeld Hochschulkommunikation our textbook [1], There will not be time to present the arguments leading to the appearance of the polarization propagator as the natural quantity for the examination of transition moments and excitation energies, and the concerned reader may find a detailed approach in terms of photon scattering in Chapter 12 of Reference [1].作者: 柔軟 時(shí)間: 2025-3-23 11:42 作者: 反感 時(shí)間: 2025-3-23 14:28
Implikationen und Schlussfolgerung,lso recognized early [2] that ground state Hartree-Fock . orbital energies (according to Koopmans’ theorem) can with some success be used as measures of valence electron binding energies, while core ionization energies are rather poorly represented in this manner.作者: fatty-acids 時(shí)間: 2025-3-23 20:22
https://doi.org/10.1007/978-3-322-80977-3 In essence all the CI method involves is the formation of a matrix representation of the non-relativistic electronic Hamiltonian (within the framework of the Born-Oppenheimer Approximation [1]), followed by solution of the associated secular equation (diagonalization).作者: GRILL 時(shí)間: 2025-3-24 01:52 作者: N斯巴達(dá)人 時(shí)間: 2025-3-24 05:45 作者: 邪惡的你 時(shí)間: 2025-3-24 10:24 作者: Hallowed 時(shí)間: 2025-3-24 14:15
Accuracy, Timing and General Applicability of the MRD-CI Method, In essence all the CI method involves is the formation of a matrix representation of the non-relativistic electronic Hamiltonian (within the framework of the Born-Oppenheimer Approximation [1]), followed by solution of the associated secular equation (diagonalization).作者: 敵意 時(shí)間: 2025-3-24 15:25 作者: 蝕刻術(shù) 時(shí)間: 2025-3-24 20:26 作者: 正式通知 時(shí)間: 2025-3-25 01:28
The Role of the Excited State in Organic Photochemistry,a good chance to make fundamental contributions to the understanding and prediction of the events occurring between initial excitation of an organic molecule to an electronically excited state (S, singlet; T, triplet) and the emergence of the first product in its thermalized ground state (S.).作者: 分發(fā) 時(shí)間: 2025-3-25 07:05 作者: molest 時(shí)間: 2025-3-25 10:38 作者: Allure 時(shí)間: 2025-3-25 14:40 作者: 單純 時(shí)間: 2025-3-25 18:13
The Calculation of Atomic and Molecular Electron Binding Energies,lso recognized early [2] that ground state Hartree-Fock . orbital energies (according to Koopmans’ theorem) can with some success be used as measures of valence electron binding energies, while core ionization energies are rather poorly represented in this manner.作者: jealousy 時(shí)間: 2025-3-25 22:37
Nato Science Series C:http://image.papertrans.cn/e/image/318399.jpg作者: Ointment 時(shí)間: 2025-3-26 02:35 作者: 細(xì)胞學(xué) 時(shí)間: 2025-3-26 05:11 作者: 倫理學(xué) 時(shí)間: 2025-3-26 11:41
Forschungsfeld Hochschulkommunikationtor. This term is here taken in a general sense to encompass a set of two-time Green’s functions, such as used by Yngve ?hrn and the present author in our textbook [1], There will not be time to present the arguments leading to the appearance of the polarization propagator as the natural quantity fo作者: FACET 時(shí)間: 2025-3-26 15:21
https://doi.org/10.1007/978-3-322-80977-3lectronic states of atoms and molecules. The theory behind this approach is very straightforward but in applying it to practical problems of chemical interest certain computational problems arise, particularly if it is desired to extend the calculations to the limit of a full CI in a large AO basis.作者: separate 時(shí)間: 2025-3-26 18:25 作者: 熱情的我 時(shí)間: 2025-3-26 22:15
Forschungsf?rderung der Europ?ischen Unionand characteristics, i.e. valence-shell or Rydberg states (or a mixture thereof) or those corresponding to inner-shell excitations, for example. Furthermore such methods should be applicable equally well to the study of valence-shell or inner-shell ionization as well as to the calculation of shake-u作者: delta-waves 時(shí)間: 2025-3-27 02:24
Angelika Albert Dipl. Psychologin,Ralf Bürgyin atoms and small molecules. We start with the formal . cluster expansion of the wave-function and we analyze the various correlation effects which appear in the wave-function whose . is dictated by first order perturbation theory. I.e. only single and pair symmetry adapted correlation functions ar作者: OPINE 時(shí)間: 2025-3-27 07:36
Es ist wie im Wohnzimmer, aber trotzdem Unitant correlation effects and then computes them efficiently and accurately. The emphasis is on the correct evaluation of the transition matrix element and not of the exact Schr?dinger equation for initial and final wave-functions. The theory is implemented through Configuration-Interaction technique作者: Arbitrary 時(shí)間: 2025-3-27 13:22
https://doi.org/10.1007/978-3-662-57749-3or the understanding of the electronic structure of the system. Actually it is not just a single type of spectroscopy but represents rather a spectrum of spectroscopies. The incident radiation may be varied both in type and energy. The most frequent excitation sources are UV radiation (HeI line at 2作者: CT-angiography 時(shí)間: 2025-3-27 15:37 作者: 馬籠頭 時(shí)間: 2025-3-27 19:13
Ansgar Klein,Hans-Josef Legrand,Thomas Leiffor calculations on excited states of molecules. They represent neither a review nor an original article. Consequently the bibliography is limited to a few essential references. Limitations of space permit only a brief discussion of the main ideas. We shall refer the reader to the literature for num作者: 有角 時(shí)間: 2025-3-27 22:06
Implikationen und Schlussfolgerung,ctrometry. Much early work [1] on ionization potentials, photoionization cross sections, chemical shifts etc. relied on semiempirical models. It was also recognized early [2] that ground state Hartree-Fock . orbital energies (according to Koopmans’ theorem) can with some success be used as measures 作者: Left-Atrium 時(shí)間: 2025-3-28 04:01
Roh Pin Lee,Stephan Meschke,Maria Nicklases this a timely subject to review. The wide range of atoms treated and the accuracies required place stringent demands on any comprehensive theory, forcing it to consider effects of relaxation, relativity, radiation, correlation, nuclear size and the bulk. To date, there is no theory capable of tre作者: 豎琴 時(shí)間: 2025-3-28 06:24 作者: preeclampsia 時(shí)間: 2025-3-28 11:56 作者: 觀點(diǎn) 時(shí)間: 2025-3-28 15:50
https://doi.org/10.1007/978-3-658-06294-1erally quite large difference in correlation energy between the combined system and the individual fragments. The situation is especially critical if multiple bonds are broken as in N., for example, for which the single-configuration Hartree-Fock treatment yields only a dissociation energy of D.= 5.作者: MEAN 時(shí)間: 2025-3-28 19:51
Partizipative Gesundheitsforschungoretical organic chemistry. Because of their inherently more complicated nature, photochemical reactions are very difficult to analyze experimentally to the degree of mechanistic detail to which one has become accustomed in the case of thermal reactions. Even relatively crude theory is thus offered 作者: anagen 時(shí)間: 2025-3-28 23:34 作者: detach 時(shí)間: 2025-3-29 05:39 作者: Anonymous 時(shí)間: 2025-3-29 07:51 作者: agnostic 時(shí)間: 2025-3-29 11:28
Ansgar Klein,Hans-Josef Legrand,Thomas Leiffor calculations on excited states of molecules. They represent neither a review nor an original article. Consequently the bibliography is limited to a few essential references. Limitations of space permit only a brief discussion of the main ideas. We shall refer the reader to the literature for numerical results where appropriate.作者: 繁榮地區(qū) 時(shí)間: 2025-3-29 16:06 作者: 不幸的人 時(shí)間: 2025-3-29 21:09 作者: Legion 時(shí)間: 2025-3-30 00:39
Aspects of the Theory of Disordered Systems, one particle eigenstates thus affecting seriously the transport properties of the materials. The metastability of the amorphous state is revealed physically through a linear (in T) contribution to the specific heat in the limit T → 0.作者: 陶瓷 時(shí)間: 2025-3-30 07:28 作者: CREST 時(shí)間: 2025-3-30 08:12 作者: chandel 時(shí)間: 2025-3-30 14:08 作者: FLING 時(shí)間: 2025-3-30 19:34
Excitation Energies and Transition Moments from the Polarization Propagator,tor. This term is here taken in a general sense to encompass a set of two-time Green’s functions, such as used by Yngve ?hrn and the present author in our textbook [1], There will not be time to present the arguments leading to the appearance of the polarization propagator as the natural quantity fo作者: 參考書目 時(shí)間: 2025-3-30 22:27
Accuracy, Timing and General Applicability of the MRD-CI Method,lectronic states of atoms and molecules. The theory behind this approach is very straightforward but in applying it to practical problems of chemical interest certain computational problems arise, particularly if it is desired to extend the calculations to the limit of a full CI in a large AO basis.作者: OCTO 時(shí)間: 2025-3-31 02:47
Calculation of Vibrational Wavefunctions and Energies Using MRD-CI Techniques,ithout any approximation it would still not be sufficient to explain many types of molecular structure phenomena observed experimentally. In the spectra of molecular systems, for example, the intensity associated with a given electronic transition is often spread over a wide range of wavelength and 作者: Onerous 時(shí)間: 2025-3-31 05:51 作者: 步履蹣跚 時(shí)間: 2025-3-31 13:13 作者: clarify 時(shí)間: 2025-3-31 13:52 作者: 運(yùn)動(dòng)的我 時(shí)間: 2025-3-31 20:28 作者: Indolent 時(shí)間: 2025-4-1 00:02 作者: 積習(xí)難改 時(shí)間: 2025-4-1 03:17
Many Body Perturbation Methods for the Calculation of Excited States,for calculations on excited states of molecules. They represent neither a review nor an original article. Consequently the bibliography is limited to a few essential references. Limitations of space permit only a brief discussion of the main ideas. We shall refer the reader to the literature for num作者: 責(zé)任 時(shí)間: 2025-4-1 09:50
The Calculation of Atomic and Molecular Electron Binding Energies,ctrometry. Much early work [1] on ionization potentials, photoionization cross sections, chemical shifts etc. relied on semiempirical models. It was also recognized early [2] that ground state Hartree-Fock . orbital energies (according to Koopmans’ theorem) can with some success be used as measures 作者: Ankylo- 時(shí)間: 2025-4-1 11:32
Theory of One Electron Binding Energies Including Correlation, Relativistic and Radiative Effects: es this a timely subject to review. The wide range of atoms treated and the accuracies required place stringent demands on any comprehensive theory, forcing it to consider effects of relaxation, relativity, radiation, correlation, nuclear size and the bulk. To date, there is no theory capable of tre作者: 大洪水 時(shí)間: 2025-4-1 17:35 作者: ANIM 時(shí)間: 2025-4-1 22:33
