A SEMI-EMPIRICAL SELF-CONSISTENT-FIELD HARTREE-FOCK CRYSTAL-ORBITAL INVESTIGATION ON HIGHLY PUCKERED PORPHYRINATONICKEL(II) BACKBONES

被引：9

|

作者：

BOHM, MC

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 107卷 / 03期

关键词：

D O I：

10.1016/0009-2614(84)85137-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

收藏

页码：322 / 329

页数：8

相关论文

共 36 条

[1] COMPARATIVE-STUDY ON THE BAND STRUCTURES OF TETRAZAPORPHIN NICKEL(II) AND PORPHYRINATO NICKEL(II) - A CRYSTAL-ORBITAL APPROACH BASED ON A SEMIEMPIRICAL HARTREE-FOCK SELF-CONSISTENT-FIELD MODEL
BOHM, MC
PHYSICAL REVIEW B, 1983, 28 (12): : 6914 - 6926
[2] A first encounter with the Hartree-Fock self-consistent-field method
Santra, Robin
Obermeyer, Michael
AMERICAN JOURNAL OF PHYSICS, 2021, 89 (04) : 426 - 436
[3] A GENERAL-THEORY OF SELF-CONSISTENT-FIELD BEYOND HARTREE-FOCK
PENG, HW
COMMUNICATIONS IN THEORETICAL PHYSICS, 1993, 20 (02) : 239 - 242
[4] NUMERICAL HARTREE-FOCK SELF-CONSISTENT-FIELD WAVEFUNCTIONS FOR PB4+
SAXENA, KMS
JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1972, 5 (04): : 766 - &
[5] Self-consistent-field - Hartree-Fock method with finite nuclear mass corrections
Gonçalves, CP
Mohallem, JR
THEORETICAL CHEMISTRY ACCOUNTS, 2003, 110 (06) : 367 - 370
[6] A hybrid CPU/GPU method for Hartree-Fock self-consistent-field calculation
Qi, Ji
Zhang, Yingfeng
Yang, Minghui
JOURNAL OF CHEMICAL PHYSICS, 2023, 159 (10):
[7] THE ELECTRONIC-STRUCTURE AND THE SOLID-STATE PROPERTIES OF THE ONE-DIMENSIONAL TETRAZA PORPHIN NICKEL(II) SYSTEM - A SELF-CONSISTENT-FIELD HARTREE-FOCK CRYSTAL-ORBITAL APPROACH BASED ON A SEMIEMPIRICAL HAMILTONIAN
BOHM, MC
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1984, 17 (12): : 2091 - 2105
[8] A SEMIEMPIRICAL SELF-CONSISTENT FIELD HARTREE-FOCK CRYSTAL ORBITAL APPROACH TO THE INFINITE TETRAZA PORPHIN NICKEL(II) SYSTEM
BOHM, MC
PHYSICS LETTERS A, 1983, 94 (08) : 371 - 374
[9] Extrapolation of Hartree-Fock and multiconfiguration self-consistent-field energies to the complete basis set limit
Pansini, F. N. N.
Neto, A. C.
Varandas, A. J. C.
THEORETICAL CHEMISTRY ACCOUNTS, 2016, 135 (12)
[10] THE HIGHER-ORDER APPROXIMATION IN GENERAL-THEORY OF SELF-CONSISTENT-FIELD BEYOND HARTREE-FOCK
PENG, HW
CHEN, JH
KUANG, HS
CHENG, XA
COMMUNICATIONS IN THEORETICAL PHYSICS, 1995, 24 (02) : 139 - 142

← 1 2 3 4 →