Time-dependent local-density approximation in real time

被引：784

作者：

Yabana, K

Bertsch, GF

机构：

[1] UNIV WASHINGTON,DEPT PHYS,SEATTLE,WA 98195

[2] UNIV WASHINGTON,INST NUCL THEORY,SEATTLE,WA 98195

来源：

PHYSICAL REVIEW B | 1996年 / 54卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.54.4484

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We study the dipole response of atomic dusters by solving the equations of the time-dependent local-density approximation in real time. The method appears to be more efficient than matrix or Green's function methods for large clusters modeled with realistic ionic pseudopotentials. As applications of the method, we exhibit results for sodium and lithium clusters and for C-60 molecules. The calculated Mie resonance in Na-147 is practically identical to that obtained in the jellium approximation, leaving the origin of the redshift unresolved. The pseudopotential effects are strong in lithium and act to broaden the Mie resonance and give it a substantial redshift, confirming earlier studies. There is also a large broadening due to Landau damping in the calculated C-60 response, again confirming earlier studies.

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页码：4484 / 4487

页数：4

相关论文

共 23 条

[1] SINGLE-PARTICLE AND COLLECTIVE DEGREES OF FREEDOM IN C-60 [J].

ALASIA, F ;

BROGLIA, RA ;

ROMAN, HE ;

SERRA, L ;

COLO, G ;

PACHECO, JM .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1994, 27 (18) :L643-L649

[2] SELF-CONSISTENT CALCULATION OF THE EIGENFREQUENCIES FOR THE ELECTRONIC EXCITATIONS IN SMALL JELLIUM SPHERES [J].

BECK, DE .

PHYSICAL REVIEW B, 1987, 35 (14) :7325-7333

[3] COLLECTIVE PLASMON EXCITATIONS IN C60 CLUSTERS [J].

BERTSCH, GF ;

BULGAC, A ;

TOMANEK, D ;

WANG, Y .

PHYSICAL REVIEW LETTERS, 1991, 67 (19) :2690-2693

[4] NONLOCAL ION POTENTIAL EFFECTS ON THE OPTICAL-RESPONSE OF LITHIUM CLUSTERS [J].

BLUNDELL, SA ;

GUET, C .

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1995, 33 (02) :153-161

[5] OPTICAL-RESPONSE OF LARGE LITHIUM CLUSTERS - EVOLUTION TOWARD THE BULK [J].

BRECHIGNAC, C ;

CAHUZAC, P ;

LEYGNIER, J ;

SARFATI, A .

PHYSICAL REVIEW LETTERS, 1993, 70 (13) :2036-2039

[6] HIGHER-ORDER FINITE-DIFFERENCE PSEUDOPOTENTIAL METHOD - AN APPLICATION TO DIATOMIC-MOLECULES [J].

CHELIKOWSKY, JR ;

TROULLIER, N ;

WU, K ;

SAAD, Y .

PHYSICAL REVIEW B, 1994, 50 (16) :11355-11364

[7] SIZE-DEPENDENT PHOTOABSORPTION AND PHOTOEMISSION OF SMALL METAL PARTICLES [J].

EKARDT, W .

PHYSICAL REVIEW B, 1985, 31 (10) :6360-6370

[8] DYNAMICAL POLARIZABILITY OF SMALL METAL PARTICLES - SELF-CONSISTENT SPHERICAL JELLIUM BACKGROUND MODEL [J].

EKARDT, W .

PHYSICAL REVIEW LETTERS, 1984, 52 (21) :1925-1928

[9] 3-DIMENSIONAL TIME-DEPENDENT HARTREE-FOCK CALCULATIONS - APPLICATION TO O-16+O-16 COLLISIONS [J].

FLOCARD, H ;

KOONIN, SE ;

WEISS, MS .

PHYSICAL REVIEW C, 1978, 17 (05) :1682-1699

[10] DIPOLE EXCITATIONS OF CLOSED-SHELL ALKALI-METAL CLUSTERS [J].

GUET, C ;

JOHNSON, WR .

PHYSICAL REVIEW B, 1992, 45 (19) :11283-11287