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The Journal of Chemical Physics
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June 1, 2022
A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions
Benjamin Helmich-Paris
The Journal of Chemical Physics
|
May 4, 2021
A trust-region augmented Hessian implementation for restricted and unrestricted Hartree-Fock and Kohn-Sham methods
Benjamin Helmich-Paris
Journal of Chemical Theory and Computation
|
May 29, 2019
Benchmarks for Electronically Excited States with CASSCF Methods
Benjamin Helmich-Paris
The Journal of Physical Chemistry. A
|
August 21, 2025
A Two-Level Preconditioner for the CASSCF Linear-Response Equations
Benjamin Helmich-Paris
The Journal of Chemical Physics
|
May 10, 2019
CASSCF linear response calculations for large open-shell molecules
Benjamin Helmich-Paris
The Journal of Chemical Physics
|
November 23, 2017
Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis
Benjamin Helmich-Paris, Stefan Knecht
The Journal of Chemical Physics
|
July 11, 2016
Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians
Benjamin Helmich-Paris, Michal Repisky, Lucas Visscher
Journal of Computational Chemistry
|
December 10, 2024
Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method
Pauline Colinet, Frank Neese, Benjamin Helmich-Paris
Physical Chemistry Chemical Physics : PCCP
|
August 4, 2018
Circularly polarised fluorescence and phosphorescence calculations on organic molecules using the approximate coupled-cluster model CC2
Chetana Badala Viswanatha, Benjamin Helmich-Paris, Christof Hättig
Journal of Chemical Theory and Computation
|
February 17, 2016
Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States
Benjamin Helmich-Paris, Christof Hättig, Christoph van Wüllen
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of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
June 1, 2022
A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions
Benjamin Helmich-Paris
The Journal of Chemical Physics
|
May 4, 2021
A trust-region augmented Hessian implementation for restricted and unrestricted Hartree-Fock and Kohn-Sham methods
Benjamin Helmich-Paris
Journal of Chemical Theory and Computation
|
May 29, 2019
Benchmarks for Electronically Excited States with CASSCF Methods
Benjamin Helmich-Paris
The Journal of Physical Chemistry. A
|
August 21, 2025
A Two-Level Preconditioner for the CASSCF Linear-Response Equations
Benjamin Helmich-Paris
The Journal of Chemical Physics
|
May 10, 2019
CASSCF linear response calculations for large open-shell molecules
Benjamin Helmich-Paris
The Journal of Chemical Physics
|
November 23, 2017
Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis
Benjamin Helmich-Paris, Stefan Knecht
The Journal of Chemical Physics
|
July 11, 2016
Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians
Benjamin Helmich-Paris, Michal Repisky, Lucas Visscher
Journal of Computational Chemistry
|
December 10, 2024
Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method
Pauline Colinet, Frank Neese, Benjamin Helmich-Paris
Physical Chemistry Chemical Physics : PCCP
|
August 4, 2018
Circularly polarised fluorescence and phosphorescence calculations on organic molecules using the approximate coupled-cluster model CC2
Chetana Badala Viswanatha, Benjamin Helmich-Paris, Christof Hättig
Journal of Chemical Theory and Computation
|
February 17, 2016
Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States
Benjamin Helmich-Paris, Christof Hättig, Christoph van Wüllen
Page
of 2