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Ab initio Study of the Diatomic Fluorides FeF, CoF, NiF, and CuF

https://doi.org/10.1021/jp805034w
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Configuration interaction calculations on the nitrogen molecule
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The Spectrum of NiF: Rotational Analysis of Four ΔΩ = 0 Transitions in the 500-580 nm Spectral Region
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Rotational Analysis of the C1Π-X1Σ+ Band System of 63CuF
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An Energy Level Diagram of the Known Electronic States of NiF Determined by Radiative and Collisional Transfers
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Laser-Induced Fluorescence of a 2Π3/2-2Σ (18 145 cm−1) Transition of NiF
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The Blue-Violet Transitions of NiF: Identification of a New Low-Lying 2Σ State (T0 = 252 cm−1)
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Fourier Transform Emission Spectroscopy of the [10.3]3Φ -X3Φ System of CoF
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Fourier Transform Emission Spectroscopy of theg4Δ–a4Δ System of FeF
inferredcites →https://doi.org/10.1006/jmsp.1996.7192openalex-snapshot
Dispersed Excitation Spectroscopy of Some Weak Transitions of NiF
inferredcites →https://doi.org/10.1006/jmsp.2000.8141openalex-snapshot
Fluorescence Excitation Spectrum of a 2Π3/2–2Π3/2 Transition of NiF
inferredcites →https://doi.org/10.1006/jmsp.2000.8292openalex-snapshot
A Hund's Case (a) Analysis of the [18.8]3Φ –X3Φi Electronic Transition of CoF
inferredcites →https://doi.org/10.1006/jmsp.2001.8330openalex-snapshot
Microwave Spectroscopic Study of NiF in the Electronic Ground and Lowest Excited States
inferredcites →https://doi.org/10.1006/jmsp.2001.8350openalex-snapshot
The Ultraviolet Spectrum of the FeF Radical: A Study of the 6Π–X6Δ and 6Φ–X6Δ Band Systems at 330 and 323 nm Respectively
inferredcites →https://doi.org/10.1006/jmsp.2001.8356openalex-snapshot
Identification of the High-Lying Π Component of NiF by Laser-Induced Fluorescence
inferredcites →https://doi.org/10.1006/jmsp.2001.8394openalex-snapshot
Millimeter- and Submillimeter-Wave Spectra of CuF and AgF in the X1Σ+ Electronic Ground States
inferredcites →https://doi.org/10.1006/jmsp.2002.8564openalex-snapshot
Identification of New Low-Lying Electronic States of the FeF Radical
inferredcites →https://doi.org/10.1006/jmsp.2002.8567openalex-snapshot
High-Resolution Survey of the Visible Spectrum of NiF by Fourier Transform Spectroscopy
inferredcites →https://doi.org/10.1006/jmsp.2002.8643openalex-snapshot
High-Resolution Fourier Transform Spectroscopy of Three Near-Infrared Transitions of NiF
inferredcites →https://doi.org/10.1007/978-1-4757-0961-2_2openalex-snapshot
Constants of diatomic molecules
inferredcites →https://doi.org/10.1007/bf01114923openalex-snapshot
Large atomic natural orbital basis sets for the first transition row atoms
inferredcites →https://doi.org/10.1007/bf01397128openalex-snapshot
�ber den Bau einer Klasse von Absorptionsspektren
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Quantum electrodynamical corrections to the fine structure of helium
inferredcites →https://doi.org/10.1016/0009-2614(69)80118-1openalex-snapshot
Non-empirical molecular orbital calculations on the protonation of carbon monoxide
inferredcites →https://doi.org/10.1016/0009-2614(77)80475-2openalex-snapshot
Size consistency in the dilute helium gas electronic structure
inferredcites →https://doi.org/10.1016/0009-2614(80)80662-2openalex-snapshot
HeI and HeII photoelectron spectra of CuF and CuF2
inferredcites →https://doi.org/10.1016/0009-2614(86)80311-6openalex-snapshot
Chemiluminescence and laser-induced fluorescence of NiF
inferredcites →https://doi.org/10.1016/0009-2614(88)87412-8openalex-snapshot
An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
inferredcites →https://doi.org/10.1016/0009-2614(94)01149-4openalex-snapshot
Gas-phase electronic spectroscopy of cobalt monofluoride
inferredcites →https://doi.org/10.1016/0022-2852(79)90192-9openalex-snapshot
Rotational analysis of a 2Δ-2Π system of NiF
inferredcites →https://doi.org/10.1016/0022-2852(82)90037-6openalex-snapshot
Rotational and hyperfine structure in the yellow system of CuF
inferredcites →https://doi.org/10.1016/0022-2852(83)90282-5openalex-snapshot
The identification of the b3Π state of copper monofluoride
inferredcites →https://doi.org/10.1016/0022-2852(83)90313-2openalex-snapshot
Nuclear hyperfine splittings for copper monofluoride in the a3Σ+ state
inferredcites →https://doi.org/10.1016/0022-2852(85)90210-3openalex-snapshot
Studies of copper monofluoride in the b3Π state by microwave-optical double resonance and intermodulated fluorescence
inferredcites →https://doi.org/10.1016/0022-2852(89)90170-7openalex-snapshot
Symmetry doubling of the rovibronic levels in the excited electronic states of CuF
inferredcites →https://doi.org/10.1016/0022-2852(91)90387-popenalex-snapshot
The spectrum of NiF: Identification of the three lower 2Δ, 2Σ, and 2Π states
inferredcites →https://doi.org/10.1016/0301-0104(87)87014-3openalex-snapshot
Radiative lifetimes of the low-lying electronic states of CuF and CuCl: Identification of the excited states of CuCl
inferredcites →https://doi.org/10.1016/0301-0104(88)87214-8openalex-snapshot
The Cu + F2 chemiluminescent reaction revisited. I. Spectroscopy of the CuF product
inferredcites →https://doi.org/10.1016/0301-0104(89)80242-3openalex-snapshot
Theoretical study of the spectroscopy of low-lying electronic states of the CuF molecule
inferredcites →https://doi.org/10.1016/0301-0104(90)80121-dopenalex-snapshot
A calculation of radiative lifetimes of electronically excited rovibronic levels of CuF
inferredcites →https://doi.org/10.1016/0301-0104(96)00223-6openalex-snapshot
The dissociation energies of FeF, FeCl, and FeBr and their positive ions
inferredcites →https://doi.org/10.1016/j.jms.2005.07.002openalex-snapshot
Near infrared spectroscopy of NiF
inferredcites →https://doi.org/10.1016/s0009-2614(89)87395-6openalex-snapshot
A fifth-order perturbation comparison of electron correlation theories
inferredcites →https://doi.org/10.1016/s0022-2852(03)00201-7openalex-snapshot
Rotational spectrum of CoF in the X electronic ground state
inferredcites →https://doi.org/10.1016/s0301-0104(02)00510-4openalex-snapshot
Electronic structure and spectroscopy of monohalides of metals of group I-B
inferredcites →https://doi.org/10.1021/cr980411mopenalex-snapshot
Electronic Structure of Diatomic Molecules Composed of a First-Row Transition Metal and Main-Group Element (H−F)
inferredcites →https://doi.org/10.1021/j100377a024openalex-snapshot
An ab initio investigation of copper complexes with supershort copper-copper distances
inferredcites →https://doi.org/10.1021/j100875a042openalex-snapshot
Mass Spectrometric Studies at High Temperatures. IX. The Sublimation Pressure of Copper(II) Fluoride
inferredcites →https://doi.org/10.1021/jp011972bopenalex-snapshot
Spectroscopic Investigation of Four Electronic States of NiF in the 17500−25000 cm-1 Region
inferredcites →https://doi.org/10.1021/jp0581126openalex-snapshot
New Relativistic ANO Basis Sets for Transition Metal Atoms
inferredcites →https://doi.org/10.1021/jp064171nopenalex-snapshot
Dissociation Energies of the Cu and Ag Monohalides and of Ni Monofluoride
inferredcites →https://doi.org/10.1021/jp9803283openalex-snapshot
Comparative Study of Electron Correlation and Relativistic Effects in CuF, AgF, and AuF
inferredcites →https://doi.org/10.1039/b300287jopenalex-snapshot
The Cu*(2D5/2 and 2D3/2) chemiluminescent reactions with ClF
inferredcites →https://doi.org/10.1063/1.1545680openalex-snapshot
On the dipole moment of the ground state X 3Δ of iron carbide, FeC
inferredcites →https://doi.org/10.1063/1.1669469openalex-snapshot
Dissociation Energy of Copper Monofluoride
inferredcites →https://doi.org/10.1063/1.1738412openalex-snapshot
Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF
inferredcites →https://doi.org/10.1063/1.1748448openalex-snapshot
Binding Energy and Dipole Moment of Alkali Halide Molecules
inferredcites →https://doi.org/10.1063/1.1834912openalex-snapshot
First principles study of the diatomic charged fluorides MF±, M=Sc, Ti, V, Cr, and Mn
inferredcites →https://doi.org/10.1063/1.1998907openalex-snapshot
Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn
inferredcites →https://doi.org/10.1063/1.2187000openalex-snapshot
Comprehensive theoretical studies on the low-lying electronic states of NiF, NiCl, NiBr, and NiI
inferredcites →https://doi.org/10.1063/1.2221688openalex-snapshot
High resolution laser induced fluorescence spectroscopy of the [18.8]Φi3−XΦi3 (0,0) band of cobalt monofluoride
inferredcites →https://doi.org/10.1063/1.2335444openalex-snapshot
Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods
inferredcites →https://doi.org/10.1063/1.436939openalex-snapshot
Chemiluminescence and photoluminescence of CuF
inferredcites →https://doi.org/10.1063/1.439843openalex-snapshot
Molecular beam study of the Cu+F2 chemiluminescent reactions
inferredcites →https://doi.org/10.1063/1.455556openalex-snapshot
An efficient internally contracted multiconfiguration–reference configuration interaction method
inferredcites →https://doi.org/10.1063/1.456153openalex-snapshot
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
inferredcites →https://doi.org/10.1063/1.457699openalex-snapshot
Effects of initial electronic and translational energy on chemiluminescent reactions of Cu with F2
inferredcites →https://doi.org/10.1063/1.461561openalex-snapshot
Laser-induced fluorescence study of the reactions Cu+X2→CuX+X (X=F, Cl, Br, and I)
inferredcites →https://doi.org/10.1063/1.462569openalex-snapshot
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
inferredcites →https://doi.org/10.1063/1.464480openalex-snapshot
Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients
inferredcites →https://doi.org/10.1063/1.465365openalex-snapshot
Theoretical study of the electronic spectrum of the CoH molecule
inferredcites →https://doi.org/10.1063/1.465990openalex-snapshot
Coupled cluster theory for high spin, open shell reference wave functions
inferredcites →https://doi.org/10.1063/1.471411openalex-snapshot
The low-lying electronic states of CoF
inferredcites →https://doi.org/10.1063/1.473680openalex-snapshot
Quadratic configuration interaction versus coupled-cluster theory: Importance of orbital relaxation phenomena in CuH and CuF
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Erratum: “Coupled cluster theory for high spin, open shell reference wave functions” [ J. Chem. Phys. 99 , 5219 (1993)]
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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
inferredcites →https://doi.org/10.1086/177946openalex-snapshot
The Millimeter-Wave Spectrum and Rest Frequencies of FeF (X 6 Delta i)
inferredcites →https://doi.org/10.1088/0022-3700/11/13/012openalex-snapshot
Electronic states of the FeF molecule. I. Analysis of rotational structure
inferredcites →https://doi.org/10.1088/0022-3700/11/13/013openalex-snapshot
Electronic states of the FeF molecule. II. Ab initio calculations
inferredcites →https://doi.org/10.1088/0022-3700/14/15/016openalex-snapshot
Rotational analysis of a B2Π-X2Σ+transition of NiF
inferredcites →https://doi.org/10.1088/0022-3700/15/21/006openalex-snapshot
Electronic states of the CuF molecule. I. Analysis of rotational structure
inferredcites →https://doi.org/10.1088/0022-3700/15/21/007openalex-snapshot
Electronic states of the CuF molecule. II. Nature of the observed states
inferredcites →https://doi.org/10.1088/0031-8949/1995/t58/004openalex-snapshot
Recent experimental achievements with negative ions
inferredcites →https://doi.org/10.1103/physrev.26.1openalex-snapshot
The Isotope Effect in Band Spectra, III. The Spectrum of Copper Iodide as Excited by Active Nitrogen
inferredcites →https://doi.org/10.1103/physrev.64.259openalex-snapshot
Rotational Analysis of the Emission Spectrum of CuF
inferredcites →https://doi.org/10.1103/physreva.32.756openalex-snapshot
Applicability of the no-pair equation with free-particle projection operators to atomic and molecular structure calculations
inferredcites →https://doi.org/10.1103/physreva.33.3742openalex-snapshot
Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators
inferredcites →https://doi.org/10.1103/physreva.47.1510openalex-snapshot
Evolution of the Σ + 1 radiative lifetime of copper halides
inferredcites →https://doi.org/10.1103/physrevd.26.1openalex-snapshot
Diffractive production of vector mesons in muon-proton scattering at 150 and 100 GeV
inferredcites →https://doi.org/10.1139/p94-142openalex-snapshot
The hyperfine structure of the C1Π–X1Σ+ transition of CuF

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Low-lying electronic states of RhF and IrF: A theoretical study
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Spectroscopy of NiF by intracavity laser spectroscopy: Identification and analysis of the (1, 0) band of the [11.1] 2Π3/2–X 2Π3/2 electronic transition
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Probing the electronic structure of the nickel monohalides: Spectroscopy of the low-lying electronic states of NiBr and NiCl
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Rotational analysis of the [15.1] A″– X∼ 1A′ transition of CuOH and CuOD observed at high resolution with Intracavity laser spectroscopy
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Multi-reference and multi-occupancy character of the cobalt monofluoride
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Electronic states of cobalt monofluoride (CoF) below 5 eV
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Multi- d -Occupancy as an Alternative Definition for the Double d -Shell Effect
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Recoupled Pair Bonding in PF n ( n = 1−5) †
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Electronic Spectroscopy and Electronic Structure of Copper Acetylide, CuCCH
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First-Principles Investigation of the Early 3d Transition Metal Diatomic Chlorides and Their Ions, ScCl0,±, TiCl0,±, VCl0,±, and CrCl0,±
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Laser cooling of copper monofluoride: a theoretical study including spin–orbit coupling
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The performance of CCSD(T) for the calculation of dipole moments in diatomics
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The permanent electric dipole moments of cobalt monofluoride, CoF, and monohydride, CoH
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Hyperfine interaction and Stark effect in the b Π3-X ∑1+(,) band of copper monofluoride, CuF
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Systematic study of first-row transition-metal diatomic molecules: A self-consistent DFT+U approach
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Spectroscopy of diatomic ZrF and ZrCl: 760 – 555 nm
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Accurate potential energy surfaces with a DFT+$U(\mathbf {R})$U(R) approach
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