標(biāo)題: Titlebook: Computational Methods in Band Theory; Proceedings of a Con P. M. Marcus,J. F. Janak,A. R. Williams Conference proceedings 1971 Plenum Press [打印本頁] 作者: 搭話 時(shí)間: 2025-3-21 18:54
書目名稱Computational Methods in Band Theory影響因子(影響力)
書目名稱Computational Methods in Band Theory影響因子(影響力)學(xué)科排名
書目名稱Computational Methods in Band Theory網(wǎng)絡(luò)公開度
書目名稱Computational Methods in Band Theory網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Computational Methods in Band Theory被引頻次
書目名稱Computational Methods in Band Theory被引頻次學(xué)科排名
書目名稱Computational Methods in Band Theory年度引用
書目名稱Computational Methods in Band Theory年度引用學(xué)科排名
書目名稱Computational Methods in Band Theory讀者反饋
書目名稱Computational Methods in Band Theory讀者反饋學(xué)科排名
作者: Outwit 時(shí)間: 2025-3-21 22:51 作者: Gullible 時(shí)間: 2025-3-22 00:29
Conference proceedings 1971 Society and held at the IBM Thomas J. Watson Research Center, Yorktown Heights, New York, on May 14-15, 1970. The purpose of the conference was a sharing of information on the computational problems involved in relating models for the electron-electron and electron-ion interactions to experimentall作者: GRATE 時(shí)間: 2025-3-22 06:25 作者: dragon 時(shí)間: 2025-3-22 11:57
Substances Containing C10H16...Zng of standard formulas for the structure constants, the present approach enables them to be evaluated by expending computer times which are of the same order as the times required to calculate the KKR determinants from their matrix elements.作者: watertight, 時(shí)間: 2025-3-22 16:48 作者: watertight, 時(shí)間: 2025-3-22 19:27 作者: PSA-velocity 時(shí)間: 2025-3-22 21:20 作者: neolith 時(shí)間: 2025-3-23 03:19 作者: Inclement 時(shí)間: 2025-3-23 07:20 作者: 廢除 時(shí)間: 2025-3-23 12:00 作者: overbearing 時(shí)間: 2025-3-23 13:56 作者: Free-Radical 時(shí)間: 2025-3-23 19:46 作者: 初次登臺 時(shí)間: 2025-3-24 00:09
Efficient Numerical Techniques for the Calculation of KKR Structure Constantsg of standard formulas for the structure constants, the present approach enables them to be evaluated by expending computer times which are of the same order as the times required to calculate the KKR determinants from their matrix elements.作者: 影響深遠(yuǎn) 時(shí)間: 2025-3-24 05:32 作者: 通便 時(shí)間: 2025-3-24 07:36
NQRS Data for AgGaSe2 (Subst. No. 0010),unctions present in the valence wave function expansion correctly simulate the behavior of the valence wave function in the core regions; while the plane-wave terms adequately describe the overall crystalline behavior of the function.作者: BAIT 時(shí)間: 2025-3-24 11:20 作者: Ascendancy 時(shí)間: 2025-3-24 17:17 作者: MAPLE 時(shí)間: 2025-3-24 19:08
An RAPW Expanded Basis Set the spin-orbit coupling term has been included. This makes the RAPW method considerably more time consuming to apply because it doubles the size of the basis set in addition to making the matrix elements slightly more complicated.作者: 嘴唇可修剪 時(shí)間: 2025-3-25 01:50
Self-Consistent Orthogonalized-PLane-Wave Calculationsunctions present in the valence wave function expansion correctly simulate the behavior of the valence wave function in the core regions; while the plane-wave terms adequately describe the overall crystalline behavior of the function.作者: Ventilator 時(shí)間: 2025-3-25 07:01
Phase Shift Parametrization: Band Structure of Silverical way to find the band structure of Ag. To do this, we use a first principles calculation as a guide, and adjust the parameters specifying the n.(E) to fit available Fermi surface, optical and photoemission data.作者: Femine 時(shí)間: 2025-3-25 09:54
Approximate KKR Band-Structure Schemes for Transition Metalsring the past year or two for solving the energy band problem for .. It will become apparent from the theory that . metals (i.e., non-transition metals), and in particular pseudopotential theory (Harrison (1966)), can be treated as an approximation to the theory developed in section 3 of this paper.作者: 勛章 時(shí)間: 2025-3-25 12:03
APW Pseudopotential Form Factors for the Alkali Metals作者: Hemoptysis 時(shí)間: 2025-3-25 16:56 作者: 帶來 時(shí)間: 2025-3-25 23:28
pansion of the conference in that, unlike the oral presentations, the papers were not limited as to length. Furthermore, time was allowed after the conference to permit the papers to be written with the conference in retrospect, and five "prepared discussion" papers written by attendees of the conference but 978-1-4684-1892-7978-1-4684-1890-3作者: 抑制 時(shí)間: 2025-3-26 01:19
NQRS Data for AgAl2Br7 (Subst. No. 0007),The variational formulation for the solution of the periodic potential problem has been known for some time.. Thus, the development of a new band structure method usually consists of creating a basis function set which has some convenient features. What is to be described here is a variant of the APW basis function set.作者: chalice 時(shí)間: 2025-3-26 07:17
NQRS Data for AgAl2Br7 (Subst. No. 0007),The Augmented-Plane-Wave (AFW) method proposed by Slater (/l/,/2/) has proved very successful for the calculation of the band structure of solids. However, aiming especially at improved wave functions, some refinements seem desirable.作者: 演講 時(shí)間: 2025-3-26 09:10 作者: tendinitis 時(shí)間: 2025-3-26 12:49
An Alternative APW Technique: Theory and Application to CopperThe variational formulation for the solution of the periodic potential problem has been known for some time.. Thus, the development of a new band structure method usually consists of creating a basis function set which has some convenient features. What is to be described here is a variant of the APW basis function set.作者: preeclampsia 時(shí)間: 2025-3-26 20:42 作者: 機(jī)制 時(shí)間: 2025-3-26 22:05 作者: 懦夫 時(shí)間: 2025-3-27 03:13 作者: 切碎 時(shí)間: 2025-3-27 08:37
https://doi.org/10.1007/978-1-4684-1890-3Potential; band structure; band theory; experiment; information; paper; society; solution; susceptibility; wa作者: GLIB 時(shí)間: 2025-3-27 12:17
978-1-4684-1892-7Plenum Press, New York 1971作者: 通知 時(shí)間: 2025-3-27 13:42 作者: 高貴領(lǐng)導(dǎo) 時(shí)間: 2025-3-27 21:07
Substances Containing Ag...C10H15The algorithm is a combination of Householder reduction to tri-diagonal form and a modified QR method for obtaining both eigenvalues and eigenvectors of the reduced matrix. The central new practical technique communicated here lies in the modification of the QR method when generating eigenvectors along with the eigenvalues.作者: Heart-Attack 時(shí)間: 2025-3-27 23:48 作者: Evocative 時(shí)間: 2025-3-28 02:55
A Comparison of Different Computer-Oriented Methods for the Energy Bands of Solids. a periodic potential, and the difficulties associated with this aspect of the problem have been nicely described by Professor Slater in the preceding talk (l). This talk will describe the second part of the problem, namely the solution of the Schr?dinger equation defined by the periodic potential (2).作者: Alveolar-Bone 時(shí)間: 2025-3-28 10:20
Diagonalization of Hermitian Matrices; Maximization of Speed and AccuracyThe algorithm is a combination of Householder reduction to tri-diagonal form and a modified QR method for obtaining both eigenvalues and eigenvectors of the reduced matrix. The central new practical technique communicated here lies in the modification of the QR method when generating eigenvectors along with the eigenvalues.作者: HALL 時(shí)間: 2025-3-28 10:45
Band Structure Calculations for Semiconductors and Insulators Using the KKR Method doing this we always used the simple muffin-tin model with spherical symmetric potentials in nonoverlapping spheres and constant elsewhere. The constant potential value V. was taken as a fitting parameter to adjust the fundamental band gap.作者: Yourself 時(shí)間: 2025-3-28 14:37
NQRS Data for AgAlBr4 (Subst. No. 0005),. a periodic potential, and the difficulties associated with this aspect of the problem have been nicely described by Professor Slater in the preceding talk (l). This talk will describe the second part of the problem, namely the solution of the Schr?dinger equation defined by the periodic potential 作者: prick-test 時(shí)間: 2025-3-28 20:36 作者: Resistance 時(shí)間: 2025-3-28 23:07 作者: 連詞 時(shí)間: 2025-3-29 03:18 作者: 草本植物 時(shí)間: 2025-3-29 11:12
NQRS Data for AgGaSe2 (Subst. No. 0010),computer time and core storage requirements can be realized. In this paper, we give some observations relevant to the Orthogonalized-Plane-Wave (OPW) method. Many of these observations are equally relevant to other computational techniques. Mattheiss, Wood, and Switendick. have outlined the use of s作者: Tracheotomy 時(shí)間: 2025-3-29 11:53 作者: 做事過頭 時(shí)間: 2025-3-29 17:18 作者: Intact 時(shí)間: 2025-3-29 22:42 作者: Compassionate 時(shí)間: 2025-3-30 02:56
Substances Containing C10H16...Znor the performance of efficient band structural calculations. These techniques are for the computer evaluation of the KKR structure constants, which are the basic potential independent functions necessary when using this first principles method. By using both analytical and computational partitionin作者: blackout 時(shí)間: 2025-3-30 04:22 作者: Harness 時(shí)間: 2025-3-30 09:09
Substances Containing C10H16...Znh is particularly useful for the noble and transition metals where both d-band and free-electron-like effects are important. The n.(E) for a family of elements are expected to have characteristic energy dependences, with each n.(E) being specified over a substantial energy range by a few parameters.作者: 變異 時(shí)間: 2025-3-30 14:31
Substances Containing C10H16...Zn doing this we always used the simple muffin-tin model with spherical symmetric potentials in nonoverlapping spheres and constant elsewhere. The constant potential value V. was taken as a fitting parameter to adjust the fundamental band gap.
