H. Koch

发表

Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction.

Benjamin G. Levine, B. S. Fales, Stefan Seritan, 2018, Journal of chemical theory and computation.

Response functions in the CC3 iterative triple excitation model

Ove Christiansen, Henrik Koch, H. Koch, 1995 .

DALTON2013 { Dalton Program Manual

Kristian O. Sylvester-Hvid, Jógvan Magnus Haugaard Olsen, J. Olsen, 2013 .

A ReaxFF force field for sodium intrusion in graphitic cathodes.

H. Koch, A. Q. Nguyen, Eirik Hjertenæs, 2016, Physical chemistry chemical physics : PCCP.

Dalton, a molecular electronic structure program

Paweł Sałek, Elias Rudberg, Trygve Helgaker, 2005 .

Basis-set convergence of correlated calculations on water

Trygve Helgaker, Wim Klopper, Henrik Koch, 1997 .

The Dalton quantum chemistry program system

Luca Frediani, Thomas Kjærgaard, Trygve Helgaker, 2013, Wiley interdisciplinary reviews. Computational molecular science.

Reduced scaling in electronic structure calculations using Cholesky decompositions

Thomas Bondo Pedersen, Henrik Koch, Alfredo Sánchez de Merás, 2003 .

Method specific Cholesky decomposition: coulomb and exchange energies.

Henrik Koch, Linus Boman, H. Koch, 2008, The Journal of chemical physics.

DALTON2011 Program Manual

J. Olsen, P. Jørgensen, R. Cimiraglia, 2011 .

Comment on “Response to ‘Comment on “Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?” ’ ” [J. Chem. Phys. 109, 9201 (1998)]

H. Koch, C. Hättig, Poul Jo, 1998 .

An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets

D. Matthews, H. Koch, S. Coriani, 2019, State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More.

Basis set limits of the second order Moller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene.

S. Ten-no, H. Koch, D. Yamaki, 2007, The Journal of chemical physics.

A coupled cluster calculation of the spectrum of urea

H. Koch, A. S. D. Merás, I. Cuesta, 2001 .

Gauge invariance of the coupled cluster oscillator strength

H. Koch, T. B. Pedersen, 1998 .

Frequency-dependent first hyperpolarizabilities using coupled cluster quadratic response theory

P. Jørgensen, H. Koch, O. Christiansen, 1997 .

Brueckner coupled cluster response functions

P. Jørgensen, H. Koch, R. Kobayashi, 1994 .

THE BENZENE-ARGON COMPLEX : A GROUND AND EXCITED STATE AB INITIO STUDY

H. Koch, O. Christiansen, B. Fernández, 1998 .

A theoretical and experimental benchmark study of core-excited states in nitrogen.

H. Koch, T. Wolf, S. Coriani, 2018, The Journal of chemical physics.

On the Accurate Description of Photoionization Dynamical Parameters.

H. Koch, P. Decleva, S. Coriani, 2020, The journal of physical chemistry letters.

Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids.

H. Koch, P. Åstrand, T. Trinh, 2015, The journal of physical chemistry. A.

The Hartree–Fock magnetizability of C60

H. Ågren, H. Koch, K. Ruud, 1998 .

Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings.

H. Koch, T. Trinh, Eirik Hjertenæs, 2016, Physical chemistry chemical physics : PCCP.

Size-intensive decomposition of orbital energy denominators

Henrik Koch, Alfredo Sánchez de Merás, H. Koch, 2000 .

Energy-Based Molecular Orbital Localization in a Specific Spatial Region.

H. Koch, Tommaso Giovannini, 2020, Journal of chemical theory and computation.

Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations

H. Koch, S. D. Folkestad, 2020, Journal of chemical theory and computation.

Multi-level coupled cluster theory.

H. Koch, R. H. Myhre, A. Sánchez de Merás, 2014, The Journal of chemical physics.

A new and efficient implementation of CC3

Alexander C. Paul, H. Koch, R. H. Myhre, 2020, 2007.01088.

Density-Based Multilevel Hartree-Fock Model.

H. Koch, Ida-Marie Høyvik, T. Kjærgaard, 2017, Journal of chemical theory and computation.

Optical Rotation Calculations for a Set of Pyrrole Compounds.

H. Koch, P. Åstrand, O. R. Gautun, 2016, The journal of physical chemistry. A.

Analytical calculation of full configuration interaction response properties: Application to Be

H. Koch, R. Harrison, 1991 .

Comment on “Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?” [J. Chem. Phys. 107, 10823 (1997)]

H. Koch, C. Hättig, Poul Jo, 1998 .

Origin invariant calculation of optical rotation without recourse to London orbitals

H. Koch, A. S. D. Merás, L. Boman, 2004 .

The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients

J. Olsen, H. Koch, C. Hättig, 1999 .

Multilevel Density Functional Theory

H. Koch, C. Cappelli, M. Scavino, 2020, Journal of chemical theory and computation.

Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles.

H. Koch, P. Åstrand, B. Hoff, 2017, The journal of physical chemistry. A.

Carbon nanorings: A challenge to theoretical chemistry.

H. Koch, T. B. Pedersen, A. Sánchez de Merás, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Coupled cluster calculations of interaction energies in benzene–fluorobenzene van der Waals complexes

H. Koch, A. S. D. Merás, T. B. Pedersen, 2007 .

On the characteristic features of ionization in QED environments.

Tor S. Haugland, H. Koch, Enrico Ronca, 2022, The Journal of chemical physics.

C24: Ring or fullerene?

H. Koch, F. Jensen, 1998 .

Molecular van der Waals fluids in cavity quantum electrodynamics

Tor S. Haugland, H. Koch, P. Narang, 2022, 2209.07956.

Strong coupling in chiral cavities: nonperturbative framework for enantiomer discrimination

H. Koch, L. Grazioli, Enrico Ronca, 2022, 2209.01987.

Energy-Based Molecular Orbital Localization in a Specific Spatial Region.

H. Koch, Tommaso Giovannini, 2020, Journal of chemical theory and computation.

Fragment Localized Molecular Orbitals

H. Koch, Tommaso Giovannini, 2022, Journal of chemical theory and computation.

Implementation of Occupied and Virtual Edmiston–Ruedenberg Orbitals Using Cholesky Decomposed Integrals

H. Koch, Ida-Marie Høyvik, S. D. Folkestad, 2022, Journal of chemical theory and computation.

Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks.

H. Koch, J. Stanton, A. Krylov, 2020, The Journal of chemical physics.

Theoretical electronic absorption and natural circular dichroism spectra of (−)-trans-cyclooctene

H. Koch, T. B. Pedersen, 2000 .

Gauge invariant coupled cluster response theory

H. Koch, C. Hättig, T. B. Pedersen, 1999 .

SCF calculations of the NMR shielding tensor for the ethylenic carbon atom in C3Cl4

P. Jørgensen, H. Koch, K. Ruud, 1995 .

Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals.

Anna Kristina Schnack-Petersen, H. Koch, S. Coriani, 2022, The Journal of chemical physics.

The vibrational and temperature dependence of the indirect nuclear spin–spin coupling constants of the oxonium (H3O+) and hydroxyl (OH−) ions

H. Koch, S. Sauer, I. Paidarová, 1998 .

Accurate ab initio rovibronic spectrum of the X 1Σg+ and B 1Σu+ states in Ar2

H. Koch, B. Fernández, 1998 .

The Cotton–Mouton effect of liquid water. Part II: The semi-continuum model

Antonio Rizzo, Trygve Helgaker, Kurt V. Mikkelsen, 1998 .

Dalton, a molecular electronic structure program, Release Dalton2011

Paweł Sałek, Elias Rudberg, Luca Frediani, 2011 .

Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of Ar2

H. Koch, C. Hättig, A. Rizzo, 1999 .

Frequency dependent hyperpolarizabilities of polyynes

H. Ågren, H. Koch, T. Helgaker, 1993 .

Study of the benzene"N 2 intermolecular potential-energy surface

H. Koch, P. Felker, T. B. Pedersen, 2010 .

Carbon Nanorings: A Challenge to Theoretical

H. Koch, 2006 .

Coupled cluster calculations of the vertical excitation energies of tetracyanoethylene

H. Koch, I. Garcı́a-Cuesta, A. S. D. Merás, 2003 .

Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods.

Alexander C. Paul, H. Koch, R. Improta, 2020, Journal of chemical theory and computation.

Transient NEXAFS Spectroscopy at the Oxygen Edge: Pinning Down ππ*/nπ* Internal Conversion

H. Koch, T. Martínez, P. Bucksbaum, 2016 .

Multilevel Density Functional Theory

H. Koch, C. Cappelli, M. Scavino, 2020, Journal of chemical theory and computation.

On the Accurate Description of Photoionization Dynamical Parameters.

H. Koch, P. Decleva, S. Coriani, 2020, The journal of physical chemistry letters.

Comment on ``The importance of high-order correlation effects for the CO CO interaction potential'' [Chem. Phys. Lett. 314 (1999) 326]

H. Koch, T. B. Pedersen, B. Fernández, 2001 .

Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models

Henrik Koch, Ida-Marie Høyvik, Anders Hutcheson, 2021, J. Comput. Chem..

The molecular structure of ferrocene

Trygve Helgaker, Poul Jørgensen, Henrik Koch, 1996 .

Optical Rotation Calculations for Fluorinated Alcohols, Amines, Amides, and Esters.

H. Koch, P. Åstrand, B. Hoff, 2016, The journal of physical chemistry. A.

Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence.

Per-Olof Åstrand, Shokouh Haghdani, Henrik Koch, 2016, Journal of chemical theory and computation.

Basis-set convergence in correlated calculations on Ne, N2, and H2O

Trygve Helgaker, Angela K. Wilson, Jeppe Olsen, 1998 .

Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function

H. Koch, Poul Jo, rgensen, 1994 .

Benzene-argon S1 intermolecular potential energy surface

H. Koch, J. Makarewicz, B. Fernández, 1999 .

Ground state benzene–argon intermolecular potential energy surface

Henrik Koch, Berta Fernández, H. Koch, 1999 .

The second-order approximate coupled cluster singles and doubles model CC2

Poul Jørgensen, Ove Christiansen, Henrik Koch, 1995 .

A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule.

Vincenzo Barone, Chiara Cappelli, Henrik Koch, 2014, The Journal of chemical physics.

Linear-Scaling Implementation of Multilevel Hartree–Fock Theory

H. Koch, Ida-Marie Høyvik, Eirik F. Kjønstad, 2021, Journal of chemical theory and computation.

Coupled cluster energy derivatives. Analytic Hessian for the closed‐shell coupled cluster singles and doubles wave function: Theory and applications

Trygve Helgaker, Henry F. Schaefer, Gustavo E. Scuseria, 1990 .

X-ray and UV Spectra of Glycine within Coupled Cluster Linear Response Theory.

H. Koch, S. Coriani, R. H. Myhre, 2019, Journal of Physical Chemistry A.

Ab initio calculation of optical rotation in (P)-(+)-[4]triangulane.

T Daniel Crawford, Henrik Koch, T. Crawford, 2005, Journal of the American Chemical Society.

Static polarizabilities and dipole moment derivatives for the closed shell coupled cluster singles and doubles wave function

H. Koch, Poul Jo, rgensen, 1994 .

Coupled-cluster calculations on ferrocene and its protonated derivatives: Towards the final word on the mechanism of protonation of ferrocene?

H. Koch, H. Lüthi, J. Weber, 2000 .

Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene

Ove Christiansen, Henrik Koch, Stephan P. A. Sauer, 2000 .

Dynamic CCSD polarisabilities of CHF3 and CHCl3

P. Jørgensen, H. Koch, R. Amos, 1996 .

Full configuration-interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions

Rodney J. Bartlett, Jeppe Olsen, Poul Jørgensen, 1996 .

Study of the benzene-N2 intermolecular potential-energy surface

H. Koch, P. Felker, T. B. Pedersen, 2003 .

Accurate ab initio density fitting for multiconfigurational self-consistent field methods.

Roland Lindh, Francesco Aquilante, Thomas Bondo Pedersen, 2008, The Journal of chemical physics.

Quartic coupled cluster force fields for the diazene isomers

P. Jørgensen, H. Koch, O. Bludský, 1993 .

The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He2 and Ar2

J. Olsen, H. Koch, C. Hättig, 1999 .

The CC3 model: An iterative coupled cluster approach including connected triples

Trygve Helgaker, Poul Jørgensen, Ove Christiansen, 1997 .

Computational and experimental investigation of intermolecular states and forces in the benzene–helium van der Waals complex

H. Koch, P. Felker, T. B. Pedersen, 2003 .

Coupled cluster response functions

Henrik Koch, H. Koch, Poul Jo, 1990 .

Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O

Trygve Helgaker, Henrik Koch, H. Koch, 1990 .

Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination

H. Koch, L. Grazioli, Enrico Ronca, 2022, Physical Review X.

Coupled cluster response calculation of natural chiroptical spectra

Thomas Bondo Pedersen, Kenneth Ruud, Henrik Koch, 1999 .

Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies

Poul Jørgensen, Ove Christiansen, Henrik Koch, 1996 .

Cholesky Decomposition Techniques in Electronic Structure Theory

Roland Lindh, Francesco Aquilante, Thomas Bondo Pedersen, 2011 .

The CCSD(T) Model With Cholesky Decomposition of Orbital Energy Denominators

H. Koch, A. S. D. Merás, T. B. Pedersen, 2011 .

Molecular orbital theory in cavity QED environments

Tor S. Haugland, H. Koch, Enrico Ronca, 2021, Nature Communications.

Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

Tor S. Haugland, H. Koch, Á. Rubio, 2020, 2005.04477.

Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory

Tor S. Haugland, H. Koch, S. Pipolo, 2021, Nano letters.

Intermolecular interactions in optical cavities: An ab initio QED study.

Tor S. Haugland, H. Koch, Á. Rubio, 2020, The Journal of chemical physics.

Cholesky decomposition-based definition of atomic subsystems in electronic structure calculations.

H. Koch, L. Boman, A. Sánchez de Merás, 2010, The Journal of chemical physics.

Fast noniterative orbital localization for large molecules.

Francesco Aquilante, Thomas Bondo Pedersen, Henrik Koch, 2006, The Journal of chemical physics.

Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations.

H. Koch, Eirik F. Kjønstad, S. D. Folkestad, 2020, The Journal of chemical physics.

eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.

Tor S. Haugland, Alexander C. Paul, Andreas S. Skeidsvoll, 2020, The Journal of chemical physics.

The multilevel CC2 and CCSD methods with correlated natural transition orbitals.

H. Koch, S. D. Folkestad, 2019, Journal of chemical theory and computation.

Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory.

H. Koch, S. Coriani, R. H. Myhre, 2016, Journal of chemical theory and computation.

Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework.

Sonia Coriani, Henrik Koch, H. Koch, 2015, The Journal of chemical physics.

Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex.

H. Koch, A. van der Avoird, B. Fernández, 2006, The Journal of chemical physics.

A variational matrix decomposition applied to full configuration-interaction calculations

H. Koch, E. Dalgaard, 1992 .

Direct iterative RPA calculations. Applications to ethylene, benzene and cytosine

Jeppe Olsen, Poul Jørgensen, Henrik Koch, 1988 .

Effective Single-Mode Methodology for Strongly Coupled Multimode Molecular-Plasmon Nanosystems

Tor S. Haugland, H. Koch, S. Corni, 2023, Nano letters.

Communication: Non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model.

H. Koch, Eirik F. Kjønstad, 2023, The Journal of chemical physics.

Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3

Alexander C. Paul, H. Koch, R. H. Myhre, 2022, Journal of chemical theory and computation.

The effect of midbond functions on interaction energies computed using MP2 and CCSD(T)

Henrik Koch, Ida-Marie Høyvik, Regina Matveeva, 2021, J. Comput. Chem..

Time-dependent coupled-cluster theory for ultrafast transient-absorption spectroscopy

Andreas S. Skeidsvoll, H. Koch, Alice Balbi, 2020, 2005.12749.

An efficient algorithm for Cholesky decomposition of electron repulsion integrals.

Henrik Koch, Sarai D Folkestad, Eirik F Kjønstad, 2018, The Journal of chemical physics.

Tautomerization of Thymine Using Ultraviolet Light.

H. Koch, S. Cooil, F. Mazzola, 2017, Langmuir : the ACS journal of surfaces and colloids.

Crossing conditions in coupled cluster theory.

H. Koch, T. Martínez, R. H. Myhre, 2017, The Journal of chemical physics.

H. Koch, R. H. Myhre, Ida-Marie Høyvik, 2017, The Journal of chemical physics.

The effect of intermolecular interactions on the electric properties of helium and argon. III. Quantum statistical calculations of the dielectric second virial coefficients

H. Koch, C. Hättig, A. Rizzo, 2002 .

Large scale random phase calculations for direct self-consistent field wavefunctions

P. Jørgensen, H. Ågren, H. Koch, 1993 .

Direct atomic orbital based self‐consistent‐field calculations of nonlinear molecular properties. Application to the frequency dependent hyperpolarizability of para‐nitroaniline

H. Ågren, H. Koch, T. Helgaker, 1993 .

Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems

H. Koch, Eirik F. Kjønstad, S. D. Folkestad, 2020, Journal of chemical theory and computation.

A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models

Trygve Helgaker, Poul Jørgensen, Ove Christiansen, 1997 .

Entanglement Coupled Cluster Theory: Exact Spin-Adaptation

H. Koch, S. D. Folkestad, Bendik Stoa Sannes, 2023, 2301.12228.

Accurate intermolecular ground state potential of the Ar–N2 complex

H. Koch, J. Makarewicz, B. Fernández, 1999 .

Rovibrational structure of the Ar–CO complex based on a novel three-dimensional ab initio potential

H. Koch, T. B. Pedersen, B. Fernández, 2002 .

Theoretical absorption spectrum of the Ar-CO van der Waals complex

H. Koch, T. B. Pedersen, B. Fernández, 2003 .

Transient resonant Auger-Meitner spectra of photoexcited thymine.

Alexander C. Paul, H. Koch, T. Martínez, 2020, Faraday discussions.

First-order one-electron properties in the integral-direct coupled cluster singles and doubles model

P. Jørgensen, H. Koch, T. Helgaker, 1997 .

Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene

P. Jørgensen, H. Koch, T. Helgaker, 1996 .

The integral‐direct coupled cluster singles and doubles model

Trygve Helgaker, Ove Christiansen, Henrik Koch, 1996 .

A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model

Trygve Helgaker, Poul Jørgensen, Ove Christiansen, 1994 .

The infrared spectrum of water. Basis set dependence at the single and double excitation coupled cluster (CCSD) level of theory

H. Schaefer, G. Scuseria, H. Koch, 1988 .

Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

T J Martinez, H. Koch, T. Martínez, 2016, Nature Communications.

Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions.

H. Koch, Tommaso Giovannini, S. D. Folkestad, 2021, Physical chemistry chemical physics : PCCP.

Surprising cases of divergent behavior in Mo/ller–Plesset perturbation theory

Jeppe Olsen, Ove Christiansen, Henrik Koch, 1996 .

Calculation of frequency-dependent polarizabilities using coupled-cluster response theory

Henrik Koch, Rika Kobayashi, H. Koch, 1994 .

Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties

H. Koch, T. Helgaker, O. Christiansen, 1998 .

Comparison of coupled-cluster and Brueckner coupled-cluster calculations of molecular properties

P. Jørgensen, H. Koch, Timothy J. Lee, 1993 .

Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions.

Thomas Bondo Pedersen, Henrik Koch, H. Koch, 2004, The Journal of chemical physics.

Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals

Thomas Bondo Pedersen, Henrik Koch, Berta Fernández, 2001 .

On the time-dependent Lagrangian approach in quantum chemistry

H. Koch, T. B. Pedersen, 1998 .

Coupled cluster response functions revisited

Thomas Bondo Pedersen, Henrik Koch, H. Koch, 1997 .

Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation-of-motion coupled-cluster theory

Alexander C. Paul, Andreas S. Skeidsvoll, H. Koch, 2021, Physical Review A.

Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics

H. Koch, Eirik F. Kjønstad, 2020, Journal of chemical theory and computation.

New and Efficient Implementation of CC3

Alexander C. Paul, H. Koch, R. H. Myhre, 2020, Journal of chemical theory and computation.

Coupled cluster response theory in parameter subspaces

H. Koch, L. Boman, 2009 .

Benzene-argon triplet intermolecular potential energy surface

P. Jørgensen, H. Koch, Kasper Hald, 2003 .

Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections

P. Jørgensen, H. Koch, O. Christiansen, 2002 .

The helium–, neon–, and argon–cyclopropane van der Waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics

H. Koch, T. B. Pedersen, J. Makarewicz, 2001 .

Integral direct calculation of CC2 excitation energies: singlet excited states of benzene

P. Jørgensen, H. Koch, T. Helgaker, 1996 .

Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory

J. Olsen, P. Jørgensen, H. Koch, 1996 .

Entanglement Coupled Cluster Theory: Exact Spin-Adaptation

H. Koch, S. D. Folkestad, Bendik Stoa Sannes, 2023, 2301.12228.

An orbital invariant similarity constrained coupled cluster model.

H. Koch, Eirik F. Kjønstad, 2019, Journal of chemical theory and computation.

Multiple basis sets in calculations of triples corrections in coupled-cluster theory

Trygve Helgaker, Wim Klopper, Henrik Koch, 1997 .

Polaritonic response theory for exact and approximate wave functions

H. Koch, Enrico Ronca, Rosario R. Riso, 2023, WIREs Computational Molecular Science.

Erratum: "Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework" [J. Chem. Phys. 143, 181103 (2015)].

Sonia Coriani, Henrik Koch, H. Koch, 2016, The Journal of chemical physics.

Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems

H. Koch, C. Cappelli, M. Scavino, 2023, Journal of chemical theory and computation.

Linear superposition of optimized non-orthogonal Slater determinants for singlet states

H. Koch, E. Dalgaard, 1993 .

Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes

Trygve Helgaker, Kenneth Ruud, Patrick Norman, 1996 .

The multilevel CC3 coupled cluster model.

Henrik Koch, H. Koch, R. H. Myhre, 2016, The Journal of chemical physics.

On the inherent divergence in the Møller-Plesset series. The neon atom — a test case

Jeppe Olsen, Poul Jørgensen, Ove Christiansen, 1996 .

Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models

Jeppe Olsen, Poul Jørgensen, Ove Christiansen, 1995 .

The extended CC2 model ECC2

H. Koch, R. H. Myhre, Alfredo M.J. Sánches de Merás, 2013 .

Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-resolved Photoelectron Spectroscopy.

H. Koch, T. Martínez, T. Wolf, 2019, The journal of physical chemistry. A.

A SECOND-ORDER DOUBLES CORRECTION TO EXCITATION ENERGIES IN THE RANDOM-PHASE APPROXIMATION

Ove Christiansen, Henrik Koch, Stephan P. A. Sauer, 1998 .

Coupled cluster simulation of impulsive stimulated X-ray Raman scattering

Andreas S. Skeidsvoll, H. Koch, Alice Balbi, 2023, 2305.19942.

Assessment of density functionals for van der Waals complexes of sodium and benzene

H. Koch, S. Andersson, Eirik Hjertenæs, 2013 .

Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes.

H. Koch, S. Andersson, Eirik Hjertenaes, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges.

Sonia Coriani, Henrik Koch, Rasmus Faber, 2019, The Journal of chemical physics.

Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene.

H. Koch, A. Sánchez de Merás, I. García Cuesta, 2008, Physical chemistry chemical physics : PCCP.

Understanding the polaritonic ground state in cavity quantum electrodynamics

Tor S. Haugland, H. Koch, P. Narang, 2023, 2307.14822.

Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics.

H. Koch, Eirik F. Kjønstad, 2017, The journal of physical chemistry letters.

Determination of the transition dipole moment μi→b(R) in H2 from the measurement of vibrational wave functions

H. Koch, J. Schins, L. Siebbeles, 1990 .

Understanding X-ray absorption in liquid water: triple excitations in multilevel coupled cluster theory

H. Koch, M. Odelius, S. Coriani, 2023, 2308.09495.

Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

H. Koch, T. Martínez, C. Bostedt, 2016, Nature Communications.

Molecular van der Waals Fluids in Cavity Quantum Electrodynamics

Tor S. Haugland, H. Koch, P. Narang, 2022, The journal of physical chemistry letters.