B. Jansik

发表

Linear-scaling symmetric square-root decomposition of the overlap matrix.

J. Olsen, P. Jørgensen, T. Helgaker, 2007, The Journal of chemical physics.

Density-functional and electron correlated study of five linear birefringences--Kerr, Cotton-Mouton, Buckingham, Jones, and magnetoelectric--in gaseous benzene.

H. Ågren, B. Jansik, A. Rizzo, 2004, The Journal of chemical physics.

DALTON2013 { Dalton Program Manual

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

The Dalton quantum chemistry program system

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

DALTON2011 Program Manual

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

Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement?

K. Ruud, B. Jansik, L. Frediani, 2006, The Journal of chemical physics.

Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals.

P. Jørgensen, B. Jansik, J. Michl, 2007, Journal of Physical Chemistry A.

Local orbitals by minimizing powers of the orbital variance.

Stinne Høst, Branislav Jansík, Poul Jørgensen, 2011, The Journal of chemical physics.

Electronic structure of copper phthalocyanine: an experimental and theoretical study of occupied and unoccupied levels.

B. Jansik, A. Ruocco, M. Alagia, 2007, The Journal of chemical physics.

DGX-A100 Face to Face DGX-2—Performance, Power and Thermal Behavior Evaluation

B. Jansik, L. Ríha, Matej Spetko, 2021, Energies.

Strong Two-Photon Circular Dichroism in Helicenes: A Theoretical Investigation.

H. Ågren, B. Jansik, B. Champagne, 2008, Journal of chemical theory and computation.

Density functional theory for molecular properties

B. Jansik, 2004 .

Dalton, a molecular electronic structure program, Release Dalton2011

Paweł Sałek, Elias Rudberg, Luca Frediani, 2011 .

Relativistic study of vuv radiation properties from Kr-Xe gas mixtures

H. Ågren, B. Jansik, B. Schimmelpfennig, 2003 .

A coupled-cluster study of lanthanum trihalide structures

H. Ågren, B. Jansik, B. Schimmelpfennig, 2002 .

The CO-Ne van der Waals complex: ab initio intermolecular potential energy, interaction induced electric dipole moment and polarizability surfaces, and second virial coefficients.

B. Jansik, A. Rizzo, B. Fernández, 2009, Physical chemistry chemical physics : PCCP.

The augmented Roothaan-Hall method for optimizing Hartree-Fock and Kohn-Sham density matrices.

Trygve Helgaker, Stinne Høst, Branislav Jansík, 2008, The Journal of chemical physics.

Response theory calculations of two-photon circular dichroism

H. Ågren, B. Jansik, A. Rizzo, 2005 .

Origin invariant approaches to the calculation of two-photon circular dichroism.

H. Ågren, B. Jansik, A. Rizzo, 2006, The Journal of chemical physics.

The divide–expand–consolidate MP2 scheme goes massively parallel

Kasper Kristensen, Thomas Kjærgaard, Simen Reine, 2013 .

Orbital localization using fourth central moment minimization.

P. Jørgensen, B. Jansik, Ida-Marie Høyvik, 2012, The Journal of chemical physics.

Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme.

Thomas Kjærgaard, Simen Reine, Branislav Jansík, 2012, The Journal of chemical physics.

Variational and robust density fitting of four-center two-electron integrals in local metrics.

T. Helgaker, A. Krapp, B. Jansik, 2008, The Journal of chemical physics.

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.

Paweł Sałek, Trygve Helgaker, Simen Reine, 2007, The Journal of chemical physics.

Linear-scaling implementation of molecular electronic self-consistent field theory.

Paweł Sałek, Pekka Manninen, Trygve Helgaker, 2007, The Journal of chemical physics.

Towards black-box linear scaling optimization in Hartree-Fock and Kohn-Sham theories

J. Olsen, B. Jansik, Simen Reine, 2006 .

Trust Region Minimization of Orbital Localization Functions.

Poul Jørgensen, Ida-Marie Høyvik, Branislav Jansik, 2012, Journal of chemical theory and computation.

Pipek–Mezey localization of occupied and virtual orbitals

Poul Jørgensen, Ida-Marie Høyvik, Branislav Jansik, 2013, J. Comput. Chem..

Local Hartree–Fock orbitals using a three‐level optimization strategy for the energy

Kasper Kristensen, Poul Jørgensen, Ida-Marie Høyvik, 2013, J. Comput. Chem..

MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme.

Thomas Kjærgaard, Simen Reine, Poul Jørgensen, 2012, Physical chemistry chemical physics : PCCP.

The divide-expand-consolidate family of coupled cluster methods: numerical illustrations using second order Møller-Plesset perturbation theory.

Poul Jørgensen, Kasper Kristensen, Ida-Marie Høyvik, 2012, The Journal of chemical physics.

A Locality Analysis of the Divide-Expand-Consolidate Coupled Cluster Amplitude Equations.

Marcin Ziółkowski, Thomas Kjærgaard, Branislav Jansík, 2011, Journal of chemical theory and computation.

Linear scaling coupled cluster method with correlation energy based error control.

Branislav Jansík, Poul Jørgensen, Marcin Ziółkowski, 2010, The Journal of chemical physics.

Maximum locality in occupied and virtual orbital spaces using a least-change strategy.

Branislav Jansík, Jeppe Olsen, Poul Jørgensen, 2009, The Journal of chemical physics.

A stepwise atomic, valence-molecular, and full-molecular optimisation of the Hartree-Fock/Kohn-Sham energy.

Mikael P. Johansson, J. Olsen, P. Jørgensen, 2009, Physical chemistry chemical physics : PCCP.

The decay of the C 1s → 2π 3Π inner-shell excited state of CO

K. Prince, M. Coreno, B. Jansik, 2007 .

Kohn–Sham Time-Dependent Density Functional Theory with Applications to Linear and Nonlinear Properties

H. Ågren, B. Jansik, Ž. Rinkevičius, 2006 .

Cubic response functions in time-dependent density functional theory.

Paweł Sałek, Olav Vahtras, Branislav Jansik, 2005, The Journal of chemical physics.

New basis sets for the evaluation of the CO–Ne van der Waals complex interaction induced electric dipole moment and polarizability surfaces

Antonio Rizzo, Branislav Jansík, Berta Fernández, 2012 .

Dipole moments calculations of transition metal mononitrides: ScN, TiN, VN, and CrN: Limits of the CCSD(T) method†

M. Urban, B. Jansik, V. Kellö, 2002 .

Calculations of static and dynamic polarizabilities of excited states by means of density functional theory.

Branislav Jansik, H. Ågren, B. Jansik, 2004, The Journal of chemical physics.

Robust and Reliable Multilevel Minimization of the Kohn-Sham Energy.

Trygve Helgaker, Stinne Høst, Branislav Jansík, 2009, Journal of chemical theory and computation.

A ground-state-directed optimization scheme for the Kohn-Sham energy.

Trygve Helgaker, Simen Reine, Stinne Høst, 2008, Physical chemistry chemical physics : PCCP.

Nonlinear effects in the interaction of time-dependent fields and chiral systems: A computational investigation.

B. Jansik, A. Rizzo, S. Coriani, 2006, The Journal of chemical physics.

Density functional response theory calculations of three-photon absorption.

Yi Luo, Branislav Jansik, H. Ågren, 2004, The Journal of chemical physics.

Relativistic effects on linear and non-linear polarizabilities of the furan homologues

H. Ågren, B. Jansik, B. Schimmelpfennig, 2003 .

Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase.

H. Ågren, T. Helgaker, B. Jansik, 2005, The Journal of chemical physics.

Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach

D. Ardagna, T. Fahringer, T. Schwede, 2023, CF.

Feasibility analysis of using the maui scheduler for job simulation of large-scale pbs based clusters

Georg Zitzlsberger, Jan Martinovič, Branislav Jansík, 2018, IADIS INTERNATIONAL JOURNAL ON COMPUTER SCIENCE AND INFORMATION SYSTEMS.

Detection of embedded dynamics in the Györgyi-Field model

B. Jansik, M. Lampart, Judita Buchlovská Nagyová, 2020, Scientific Reports.

Electronic structure of copper phthalocyanine: an experimental and theoretical study of occupied and unoccupied levels.

B. Jansik, A. Ruocco, M. Alagia, 2007, The Journal of chemical physics.

Theoretical pressure and dielectric second virial coefficients of CO–Ar

B. Jansik, A. Rizzo, T. B. Pedersen, 2008 .