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Journal of Chemical Theory and Computation
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June 28, 2017
Correction to Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States
Benjamin Helmich-Paris, Christof Hättig, Christoph van Wüllen
The Journal of Chemical Physics
|
September 16, 2021
An improved chain of spheres for exchange algorithm
Benjamin Helmich-Paris, Bernardo de Souza, Frank Neese, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2025
Excited-state methods based on state-averaged long-range CASSCF short-range DFT
Benjamin Helmich-Paris, Erik Rosendahl Kjellgren, Hans Jørgen Aa Jensen
Journal of Computational Chemistry
|
February 26, 2019
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function
Christian Kollmar, Kantharuban Sivalingam, Benjamin Helmich-Paris, et al.
The Journal of Physical Chemistry. A
|
March 3, 2025
The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting
Frank Neese, Pauline Colinet, Bernardo DeSouza, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2024
Extension of the D3 and D4 London dispersion corrections to the full actinides series
Lukas Wittmann, Igor Gordiy, Marvin Friede, et al.
Science (New York, N.Y.)
|
January 15, 2026
The photohydrolysis of furans
Nils Frank, Moreshwar B Chaudhari, Markus Leutzsch, et al.
The Journal of Chemical Physics
|
June 4, 2020
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, André Severo Pereira Gomes, et al.
The Journal of Chemical Physics
|
May 17, 2020
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
Sree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 19) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 19 results.
Journal of Chemical Theory and Computation
|
June 28, 2017
Correction to Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States
Benjamin Helmich-Paris, Christof Hättig, Christoph van Wüllen
The Journal of Chemical Physics
|
September 16, 2021
An improved chain of spheres for exchange algorithm
Benjamin Helmich-Paris, Bernardo de Souza, Frank Neese, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2025
Excited-state methods based on state-averaged long-range CASSCF short-range DFT
Benjamin Helmich-Paris, Erik Rosendahl Kjellgren, Hans Jørgen Aa Jensen
Journal of Computational Chemistry
|
February 26, 2019
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function
Christian Kollmar, Kantharuban Sivalingam, Benjamin Helmich-Paris, et al.
The Journal of Physical Chemistry. A
|
March 3, 2025
The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting
Frank Neese, Pauline Colinet, Bernardo DeSouza, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2024
Extension of the D3 and D4 London dispersion corrections to the full actinides series
Lukas Wittmann, Igor Gordiy, Marvin Friede, et al.
Science (New York, N.Y.)
|
January 15, 2026
The photohydrolysis of furans
Nils Frank, Moreshwar B Chaudhari, Markus Leutzsch, et al.
The Journal of Chemical Physics
|
June 4, 2020
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, André Severo Pereira Gomes, et al.
The Journal of Chemical Physics
|
May 17, 2020
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
Sree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, et al.
Page
of 2