COMPUTER-SIMULATION OF QUANTUM ADIABATIC DYNAMICS BY MEANS OF A CLASSICAL SEPARATION OF TIME SCALES
M SPRIK, ML KLEIN
– ABSTR PAP AM CHEM S
(1989)
198,
32
A polarizable model for water using distributed charge sites
M SPRIK, ML KLEIN
– The Journal of Chemical Physics
(1988)
89,
7556
(DOI: 10.1063/1.455722)
Solvation of electrons, atoms and ions in liquid ammonia
M MARCHI, M SPRIK, ML KLEIN
– Faraday Discussions
(1988)
85,
373
(DOI: 10.1039/DC9888500373)
Electron attachment to ammonia clusters: A study using path integral Monte Carlo calculations
M MARCHI, M SPRIK, ML KLEIN
– The Journal of Chemical Physics
(1988)
89,
4918
(DOI: 10.1063/1.455699)
Molecular model for aqueous ferrous–ferric electron transfer
RA KUHARSKI, JS BADER, D CHANDLER, M SPRIK, ML KLEIN, RW IMPEY
– The Journal of Chemical Physics
(1988)
89,
3248
(DOI: 10.1063/1.454929)
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the adiabatic dynamics of the solvated electron
M SPRIK, ML KLEIN
– The Journal of Chemical Physics
(1988)
89,
1592
(DOI: 10.1063/1.455156)
General discussion
MCR Symons, S Tomoda, T Clark, ML Klein, BM Odintsov, PG Wolynes, M Sprik, JP Devlin, DE Logan, M Marchi
– Faraday Discussions of the Chemical Society
(1988)
85,
391
(DOI: 10.1039/dc9888500391)
Application of path integral simulations to the study of electron solvation in polar fluids
M SPRIK, ML KLEIN
– Computer Physics Reports
(1988)
7,
147
(DOI: 10.1016/0167-7977(88)90001-9)
General discussion
MCR SYMONS, S TOMODA, T CLARK, ML KLEIN, BM ODINTSOV, PG WOLYNES, M SPRIK, JP DEVLIN, DE LOGAN, M MARCHI, ML KLEIN
– Faraday Discussions
(1988)
85,
391
(DOI: 10.1039/dc9888500391)
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the solvated electron
M SPRIK, ML KLEIN
– The Journal of Chemical Physics
(1987)
87,
5987
(DOI: 10.1063/1.453522)
Study of electron solvation in polar solvents using path integral calculations
M SPRIK, RW IMPEY, ML KLEIN
– Journal of Statistical Physics
(1986)
43,
967
(DOI: 10.1007/bf02628323)
Electron-Ion Interactions and Ionization in a Polar Solvent
M Sprik, RW Impey, ML Klein
– Phys Rev Lett
(1986)
56,
2326
(DOI: 10.1103/physrevlett.56.2326)
ELECTION SOLVATION IN POLAR-SOLVENTS
M KLEIN, RW IMPEY, M SPRIK
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1986)
191,
230
Computer simulation of a quantum particle in a quenched disordered system: Direct observation of Lifshitz traps
M Sprik, ML Klein, D Chandler
– Physical Review B
(1985)
32,
545
(DOI: 10.1103/physrevb.32.545)
Staging: A sampling technique for the Monte Carlo evaluation of path integrals
M Sprik, ML Klein, D Chandler
– Phys Rev B Condens Matter
(1985)
31,
4234
(DOI: 10.1103/PhysRevB.31.4234)
Study of electron solvation in liquid ammonia using quantum path integral Monte Carlo calculations
M SPRIK, RW IMPEY, ML KLEIN
– The Journal of Chemical Physics
(1985)
83,
5802
(DOI: 10.1063/1.449660)
Simulation of the cubic to orthorhombic phase transition in potassium cyanide
RW IMPEY, M SPRIK, ML KLEIN
– The Journal of Chemical Physics
(1985)
83,
3638
(DOI: 10.1063/1.449827)
Simulation of an excess electron in a hard sphere fluid
M SPRIK, ML KLEIN, D CHANDLER
– The Journal of Chemical Physics
(1985)
83,
3042
(DOI: 10.1063/1.449207)
Second-order elastic constants for the Lennard-Jones solid
M SPRIK, RW IMPEY, ML KLEIN
– Physical Review B
(1984)
29,
4368
(DOI: 10.1103/PhysRevB.29.4368)
Orientational ordering in solid parahydrogen and orthodeuterium
M SPRIK, ML KLEIN
– The Journal of Chemical Physics
(1984)
81,
6207
(DOI: 10.1063/1.447576)