Electronic structure of small copper clusters. II. Localized d hole in excited states and ionized states of Cu2 and Cu3

Introduction to Solid State Physics

1957 • 22,073 citations

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1970 • 20,717 citations

Atomic energy levels

1965 • 5,224 citations

Discrete Variational Xα Cluster Calculations. I. Application to Metal Clusters

1978 • 1,010 citations

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>LMM</mml:mi></mml:math>Auger spectra of Cu, Zn, Ga, and Ge. I. Transition probabilities, term splittings, and effective Coulomb interaction

1977 • 444 citations

Molecular-orbital studies of transition- and noble-metal clusters by the self-consistent-field-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>scattered-wave method

1976 • 345 citations

Localized and Delocalized 1s Hole States of the O 2 + Molecular Ion

1972 • 328 citations

A systematic preparation of new contracted Gaussian type orbital set. I. Transition metal atoms from Sc to Zn

1979 • 246 citations

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>L</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mo>,</mml:mo><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi>M</mml:mi></mml:mrow><mml:mrow><mml:mn>45</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi>M</mml:mi></mml:mrow><mml:mrow><mml:mn>45</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Auger Spectra of…

1973 • 236 citations

Possible improvements of the interaction energy calculated using minimal basis sets

1979 • 223 citations

Band Structure of Transition Metals Studied by ESCA

1970 • 218 citations

An application of the functional Boys-Bernardi counterpoise method to molecular potential surfaces

1973 • 201 citations

The ultraviolet–visible spectra of diatomic, triatomic, and higher nickel clusters

1977 • 168 citations

Calculated Properties of Metal Aggregates. II. Silver and Palladium

1971 • 153 citations

Optical spectroscopy of copper clusters: Atom to bulk

1977 • 151 citations

The electronic structure of small nickel atom clusters

1980 • 148 citations

Molecular orbital studies of dissociative chemisorption of first period diatomic molecules and ethylene on (100) W and Ni surfaces

1974 • 139 citations

Electronic structure of the sodium trimer

1978 • 135 citations

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>LMM</mml:mi></mml:math>Auger spectra of Cu, Zn, Ga, and Ge, II. Relationship with the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>L</mml:mi></mml:mrow><mml:mrow><mml:mn>23</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>photoelectron spectra via the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><…

1977 • 135 citations

The interaction of atomic hydrogen with Ni, Pd, and Pt clusters

1977 • 131 citations

Binary copper carbonyls. Synthesis and characterization of tricarbonylcopper, dicarbonylcopper, monocarbonylcopper, and hexacarbonyldicopper

1975 • 123 citations

Electronic properties of metal clusters

1975 • 122 citations

Bulk properties or not: The electronic structure of small metal clusters

1981 • 121 citations

Bonding between transition metal atoms. A b i n i t i o effective potential calculations of Cu2

1981 • 114 citations

Molecular-orbital cluster-model study of the core-level spectrum of CO adsorbed on copper

1981 • 99 citations

The electronic states of Ni2 and Ni2+

1978 • 98 citations

A systematic preparation of new contracted Gaussian-type orbital basis sets. II. Test basis set for Cu2 molecule with and without splitting of the outer orbitals

1980 • 97 citations

Very Small Metallic and Bimetallic Clusters: The Metal Cluster-Metal Surface Analogy in Catalysis and Chemisorption Processes

1977 • 93 citations

Corr�lation �lectronique et effets de base dans l'�tude de la liaison hydrog�ne: le dim�re mixte ammoniac-eau

1973 • 91 citations

An a b i n i t i o study of the bonding in diatomic nickel

1980 • 85 citations

CNDO calculations of nickel atom clusters

1974 • 82 citations

The visible absorption spectra of Mn2, Fe2, and Ni2 in argon matrices

1975 • 82 citations

Polynuclear metal carbonyl compounds and chemisorption of co on transition metal surfaces

1976 • 80 citations

Electronic structure of small copper clusters. I

1982 • 79 citations

Interaction of hydrogen, carbon, ethylene, acetylene, and alkyl fragments with iron surfaces. Catalytic hydrogenation, dehydrogenation, carbon bond breakage, and hydrogen mobility

1977 • 78 citations

Structures and electronic properties of copper clusters and bulk; comments on Mulliken–Walsh diagrams and on criticisms of the extended Hückel procedure

1978 • 77 citations

Structure and electronic properties of copper clusters. An Ab Initio LCAO–MO–SCF Study

1980 • 71 citations

Spectroscopy, chemistry and catalysis of metal atoms, metal dimers and metal clusters

1980 • 70 citations

Weak intermolecular interaction

1975 • 70 citations

Modeling catalytic reactions with transition metal atoms. 1. Synthesis and characterization of reactive intermediates in the nickel-ethylene system, (C2H4)nNi (where n = 1, 2, or 3) in low temperature matrices

1976 • 68 citations

On the Hartree-Fock and Xα descriptions of small copper cluster electronic structures

1982 • 67 citations

Bonding capabilities of transition metal clusters. 2. Relationship to bulk metals

1979 • 67 citations

A systematic preparation of new contracted Gaussian‐ type orbital sets. VII. <scp>MINI</scp>‐3, <scp>MINI</scp>‐4, <scp>MIDI</scp>‐3, and <scp>MIDI</scp>‐4 sets for transition metal atoms

1981 • 60 citations

Selective naked-cluster cryophotochemistry and SCF-X.alpha.-SW calculations for copper (Cu2) and silver (Ag2)

1979 • 58 citations

Brillouin's theorem in Roothaan's open-shell SCF method

1972 • 52 citations

On the relaxation effect in the Slater transition state

1979 • 49 citations

Photoemission study of matrix isolated Cu atoms and clusters

1981 • 47 citations

Theory of ultraviolet spectra for Ni2 and Ni3 and hypothesis for argon matrix frequency shifts for Ni atoms

1977 • 45 citations

Discandium and dititanium, their synthesis and optical spectra in low temperature argon matrices

1976 • 43 citations

The L_2,3M_4,5M_4,5Auger and photoelectron spectra of germanium

1976 • 38 citations

Ab initio study of Cu₂and Cu₂⁺

1973 • 37 citations

Photoluminescence, lifetimes, and discharge excitation of Cu2

1976 • 20 citations

Attachment of NH3 clusters to Hg(63P0)

1972 • 19 citations

Spectroscopy and Metal Atom Chemistry

1976 • 19 citations

Eigenvalues and orbital energies in the Xα statistical exchange method

1977 • 17 citations

Contents pages

1980 • 9 citations

Theory and Application to CO/Ni System of the Model Potential X α Method

1981 • 7 citations