Measuring orbitals: Provocation or reality?

被引：66

作者：

Schwarz, WHE ^{[1
]}

机构：

[1] Univ Siegen, D-57068 Siegen, Germany

[2] Jiao Tong Univ, Sch Chem, Shanghai 200240, Peoples R China

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2006年 / 45卷 / 10期

关键词：

femtochemistry; orbitals; quantum chemistry; single-molecule studies; wave functions;

D O I：

10.1002/anie.200501333

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Can complex orbitals really be measured? Orbital functions can indeed be reconstructed from measured data by various approaches. Now even femtosecond measurements can be used, though the results are still less accurate than those achieved with purely theoretical methods. The HOMO of the N2 molecule (see picture) has been reconstructed directly from experimental laser-spectroscopic interference intensity measurements by means of computer algorithms. (Figure Presented). © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

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页码：1508 / 1517

页数：10

相关论文

共 120 条

[1]

AUDRETSCH J, 2005, VERSCHRANKTE SYSTEME

[2] Dyson orbitals, quasi-particle effects and Compton scattering [J].

Barbiellini, B ;

Bansil, A .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2004, 65 (12) :2031-2034

[3] ELECTRON MOMENTUM SPECTROSCOPY OF THE VALENCE ORBITALS OF H2O AND D2O - QUANTITATIVE COMPARISONS USING HARTREE-FOCK LIMIT AND CORRELATED WAVE-FUNCTIONS [J].

BAWAGAN, AO ;

BRION, CE ;

DAVIDSON, ER ;

FELLER, D .

CHEMICAL PHYSICS, 1987, 113 (01) :19-42

[4] AN INVESTIGATION OF THE VALENCE ORBITALS OF WATER BY HIGH MOMENTUM RESOLUTION ELECTRON MOMENTUM SPECTROSCOPY [J].

BAWAGAN, AO ;

LEE, LY ;

LEUNG, KT ;

BRION, CE .

CHEMICAL PHYSICS, 1985, 99 (03) :367-382

[5] Scanning tunneling spectroscopy of one-dimensional surface states on a metal surface [J].

Biedermann, A ;

Genser, O ;

Hebenstreit, W ;

Schmid, M ;

Redinger, J ;

Podloucky, R ;

Varga, P .

PHYSICAL REVIEW LETTERS, 1996, 76 (22) :4179-4182

[6] Imaging of orbital electron densities by electron momentum spectroscopy - a chemical interpretation of the binary (e,2e) reaction [J].

Brion, CE ;

Cooper, G ;

Zheng, Y ;

Litvinyuk, IV ;

McCarthy, IE .

CHEMICAL PHYSICS, 2001, 270 (01) :13-30

[7] Quantum control of gas-phase and liquid-phase femtochemistry [J].

Brixner, T ;

Gerber, G .

CHEMPHYSCHEM, 2003, 4 (05) :418-438

[8] Femtosecond quantum control [J].

Brixner, T ;

Damrauer, NH ;

Gerber, G .

ADVANCES IN ATOMIC, MOLECULAR, AND OPTICAL PHYSICS, VOL 46, 2001, 46 :1-54

[9] Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia [J].

Bytheway, I ;

Grimwood, DJ ;

Figgis, BN ;

Chandler, GS ;

Jayatilaka, D .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2002, 58 :244-251

[10] Structural realism and the interpretation of quantum field theory [J].

Cao, TY .

SYNTHESE, 2003, 136 (01) :3-24

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