Lucas Visscher
Lucas Visscher
Professor of Theoretical Chemistry, VU University Amsterdam
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Dirac–Fock atomic electronic structure calculations using different nuclear charge distributions
L Visscher, KG Dyall
Atomic Data and Nuclear Data Tables 67 (2), 207-224, 1997
ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014
Relativistic quantum chemistry: the MOLFDIR program package
L Visscher, O Visser, PJC Aerts, H Merenga, WC Nieuwpoort
Computer physics communications 81 (1-2), 120-144, 1994
Formulation and implementation of a relativistic unrestricted coupled‐cluster method including noniterative connected triples
L Visscher, TJ Lee, KG Dyall
The Journal of chemical physics 105 (19), 8769-8776, 1996
The Chemical Bond between Au(I) and the Noble Gases. Comparative Study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by Density Functional and Coupled Cluster …
L Belpassi, I Infante, F Tarantelli, L Visscher
Journal of the American Chemical Society 130 (3), 1048-1060, 2008
Approximate molecular relativistic Dirac-Coulomb calculations using a simple Coulombic correction
L Visscher
Theoretical Chemistry Accounts 98, 68-70, 1997
Formulation and implementation of the relativistic Fock-space coupled cluster method for molecules
L Visscher, E Eliav, U Kaldor
The Journal of Chemical Physics 115 (21), 9720-9726, 2001
The Becke fuzzy cells integration scheme in the Amsterdam Density Functional program suite
M Franchini, PHT Philipsen, L Visscher
Journal of computational chemistry 34 (21), 1819-1827, 2013
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties
GA Aucar, T Saue, L Visscher, HJA Jensen
The Journal of chemical physics 110 (13), 6208-6218, 1999
Full four‐component relativistic calculations of NMR shielding and indirect spin–spin coupling tensors in hydrogen halides
L Visscher, T Enevoldsen, T Saue, HJA Jensen, J Oddershede
Journal of computational chemistry 20 (12), 1262-1273, 1999
Arbitrary-order density functional response theory from automatic differentiation
U Ekström, L Visscher, R Bast, AJ Thorvaldsen, K Ruud
Journal of chemical theory and computation 6 (7), 1971-1980, 2010
The molecular mean-field approach for correlated relativistic calculations
J Sikkema, L Visscher, T Saue, M Iliaš
The Journal of chemical physics 131 (12), 2009
The DIRAC code for relativistic molecular calculations
T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...
The Journal of chemical physics 152 (20), 2020
Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds
S Fux, CR Jacob, J Neugebauer, L Visscher, M Reiher
The Journal of chemical physics 132 (16), 2010
Relativistic and correlation effects on molecular properties. I. The dihalogens F2, Cl2, Br2, I2, and At2
L Visscher, KG Dyall
The Journal of chemical physics 104 (22), 9040-9046, 1996
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
SCM, Theoretical Chemistry, 2017
Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory
ASP Gomes, CR Jacob, L Visscher
Physical Chemistry Chemical Physics 10 (35), 5353-5362, 2008
Toward a practical method for adaptive QM/MM simulations
RE Bulo, B Ensing, J Sikkema, L Visscher
Journal of chemical theory and computation 5 (9), 2212-2221, 2009
A flexible implementation of frozen‐density embedding for use in multilevel simulations
CR Jacob, J Neugebauer, L Visscher
Journal of computational chemistry 29 (6), 1011-1018, 2008
The generalized active space concept for the relativistic treatment of electron correlation. II. Large-scale configuration interaction implementation based on relativistic 2 …
T Fleig, J Olsen, L Visscher
The Journal of chemical physics 119 (6), 2963-2971, 2003
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
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