MNDO CALCULATIONS OF MOLECULAR ELECTRIC POLARIZABILITIES, HYPERPOLARIZABILITIES, AND NON-LINEAR OPTICAL COEFFICIENTS

被引：45

作者：

DEWAR, MJS

YAMAGUCHI, Y

SUCK, SH

机构：

[1] UNIV MISSOURI,DEPT PHYS,ROLLA,MO 65401

[2] UNIV MISSOURI,GRAD CTR CLOUD PHYS RES,ROLLA,MO 65401

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 59卷 / 03期

关键词：

D O I：

10.1016/0009-2614(78)85037-4

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

页码：541 / 544

页数：4

共 28 条

[1] GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1302-1306

[2] GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1307-1311

[3] GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1294-1301

[4] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[5] POLARIZATION OF LASER LIGHT SCATTERED BY GASES [J].

BRIDGE, NJ ;

BUCKINGHAM, AD .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1442) :334-+

[6] ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS [J].

COHEN, HD ;

ROOTHAAN, CC .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S034-+

[7] GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917

[8] GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON [J].

DEWAR, MJS ;

MCKEE, ML .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (16) :5231-5241

[9] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[10] GROUND-STATES OF MOLECULES .29. MINDO-3 CALCULATIONS OF COMPOUNDS CONTAINING THIRD ROW ELEMENTS [J].

DEWAR, MJS ;

LO, DH ;

RAMSDEN, CA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1311-1318

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