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Zur Quantentheorie der Molekeln
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January 1927 |
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Vectorizable algorithm for green function and many-body perturbation methods
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January 1993 |
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General atomic and molecular electronic structure system
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November 1993 |
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Photoelectron spectroscopy of the heterocycles imidazole and methylimidazoles
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March 1978 |
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A linear response, coupled-cluster theory for excitation energy
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March 1984 |
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Semidirect algorithms in electron propagator calculations
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February 1994 |
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The equation-of-motion coupled-cluster method: Excitation energies of Be and CO
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December 1989 |
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Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models
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September 1995 |
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Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory
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June 1996 |
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The angular distribution parameters of argon, krypton and xenon for use in calibration of electron spectometers
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April 1982 |
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The molecular energy levels of the azoles: A study by photoelectron spectroscopy and ab initio molecular orbital calculations
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January 1973 |
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Computational methods for the one-particle green's function
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April 1984 |
Calibration of a monochromator/spectrometer system for the measurement of photoelectron angular distributions and branching ratios
- Southworth, S. H.; Parr, A. C.; Hardis, J. E.
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Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 246, Issue 1-3
https://doi.org/10.1016/0168-9002(86)90192-0
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May 1986 |
Design of a new type of planar undulator for generating variably polarized radiation
- Sasaki, Shigemi; Kakuno, Kazunori; Takada, Takeo
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Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 331, Issue 1-3
https://doi.org/10.1016/0168-9002(93)90153-9
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July 1993 |
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A study of the photoionisation dynamics of chloromethane and iodomethane
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August 2006 |
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A study of the valence shell electronic structure and photoionisation dynamics of para-dichlorobenzene and para-bromochlorobenzene
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March 2013 |
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A study of the valence shell electronic structure and photoionisation dynamics of meta-dichlorobenzene and meta-bromochlorobenzene
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March 2013 |
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An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride
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February 2021 |
FinEstBeaMS – A wide-range Finnish-Estonian Beamline for Materials Science at the 1.5 GeV storage ring at the MAX IV Laboratory
- Pärna, R.; Sankari, R.; Kukk, E.
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Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 859
https://doi.org/10.1016/j.nima.2017.04.002
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July 2017 |
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New plane-grating monochromators for third generation synchrotron radiation light sources
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May 1997 |
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An experimental and theoretical study of the valence shell photoelectron spectra of thiophene, 2-chlorothiophene and 3-chlorothiophene
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January 2001 |
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An experimental and theoretical study of the valence shell photoelectron spectra of 2-bromothiophene and 3-bromothiophene
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September 2001 |
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The identification of the outer valence shell π-photoelectron bands in furan, pyrrole and thiophene
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February 2001 |
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Steady and Time-Resolved Photoelectron Spectra Based on Nuclear Ensembles
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September 2016 |
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Substituent effects on imidazole basicity and photoelectron spectroscopy determined ionization energies
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June 1979 |
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An Evaluation of Harmonic Vibrational Frequency Scale Factors
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November 2007 |
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Theoretical and Experimental Study of Valence-Shell Ionization Spectra of Guanine
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October 2009 |
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Time resolved velocity map imaging of H-atom elimination from photoexcited imidazole and its methyl substituted derivatives
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January 2011 |
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Investigation of multiple electronic excited state relaxation pathways following 200 nm photolysis of gas-phase imidazole
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January 2012 |
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Resolution and signal‐to‐background enhancement in gas‐phase electron spectroscopy
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August 1993 |
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Triplet excitation energies in full configuration interaction and coupled-cluster theory
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August 2001 |
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Angular Distribution of Photoelectrons
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January 1968 |
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Electron‐molecule scattering and molecular photoionization using the multiple‐scattering method
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July 1974 |
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Molecular ionization energies and ground- and ionic-state properties using a non-Dyson electron propagator approach
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October 2005 |
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High resolution photofragment translational spectroscopy studies of the near ultraviolet photolysis of imidazole
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November 2006 |
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Molecular beam photoelectron spectroscopy and femtosecond intramolecular dynamics of H 2 O + and D 2 O +
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December 1986 |
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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January 1989 |
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On Green’s function calculations of the static self‐energy part, the ground state energy and expectation values
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August 1989 |
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Coupled cluster response functions
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September 1990 |
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Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH + , CO, and H 2 O
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September 1990 |
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Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
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May 1992 |
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Application of systematic sequences of wave functions to the water dimer
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April 1992 |
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The use of systematic sequences of wave functions for estimating the complete basis set, full configuration interaction limit in water
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May 1993 |
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Second order many‐body perturbation approximations to the coupled cluster Green’s function
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January 1995 |
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Perturbative treatment of the similarity transformed Hamiltonian in equation‐of‐motion coupled‐cluster approximations
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July 1995 |
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Response functions in the CC3 iterative triple excitation model
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November 1995 |
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Block Lanczos and many‐body theory: Application to the one‐particle Green’s function
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May 1996 |
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A non-Dyson third-order approximation scheme for the electron propagator
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September 1998 |
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The 5a1−1 photoionization of oriented CF3I molecules: Angular distributions of the ka1 and ke photoelectron continua
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September 1999 |
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A simple scheme for the direct calculation of ionization potentials with coupled-cluster theory that exploits established excitation energy methods
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November 1999 |
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A generic π* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers
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August 2013 |
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The influence of the bromine atom Cooper minimum on the photoelectron angular distributions and branching ratios of the four outermost bands of bromobenzene
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October 2015 |
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Ionization of pyridine: Interplay of orbital relaxation and electron correlation
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June 2017 |
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An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine
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October 2017 |
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An experimental and theoretical study of the photoelectron spectra of cis -dichloroethene: Valence shell vertical ionization and vibronic coupling in the low-lying cationic states
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journal
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August 2018 |
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Photoionization dynamics of cis -dichloroethene from investigation of vibrationally resolved photoelectron spectra and angular distributions
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August 2018 |
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Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation
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January 2020 |
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Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking
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January 2020 |
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Vibronic interaction in trans -dichloroethene studied by vibration- and angle-resolved photoelectron spectroscopy using 19–90 eV photon energy
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March 2021 |
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
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September 2014 |
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Non-empirical versus empirical choices for overlapping-sphere radii ratios in SCF-Xα-SW calculations on ClO 4 - and SO 2
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April 1976 |
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Vibrational State Dependence of the Photoelectron Angular Asymmetry Parameter caused by Vibronic Coupling
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January 1979 |
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The influence of electron correlation and relativistic effects on the valence shell photoelectron spectrum of iodothiophene
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December 2002 |
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A study of the valence shell electronic structure and photoionization dynamics of selenophene
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May 2007 |
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Angular distribution of photoelectrons of Xe 5 p spin-orbit components between 20 and 105 eV
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September 1981 |
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Some aspects of the time-dependent coupled-cluster approach to dynamic response functions
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September 1983 |
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New approach to the one-particle Green's function for finite Fermi systems
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September 1983 |
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Xe 5 s , 5 p correlation satellites in the region of strong interchannel interactions, 28—75 eV
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August 1984 |
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Subshell photoionization of Xe between 40 and 1000 eV
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April 1989 |
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Shape-Resonance-Enhanced Nuclear-Motion Effects in Molecular Photoionization
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October 1979 |
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Gas-phase endstation of electron, ion and coincidence spectroscopies for diluted samples at the FinEstBeAMS beamline of the MAX IV 1.5 GeV storage ring
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June 2020 |
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The Role of * Excited States in the Photodissociation of Heteroaromatic Molecules
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June 2006 |
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Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
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May 2008 |